Basic information
- CAS
56912-33-5- Standard SMILES
CCCCCc1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(Oc3ccc(C(=O)O)cc3)C(=O)C(C)(C)C)c2)c(CCCCC)c1- InChIKey
DVHHNFRIVCLAGN-UHFFFAOYSA-N- Molecular formula
- C40H51ClN2O7
- Average molar mass
- 707.3 g/mol
- Monoisotopic mass
- 706.3384797
Names & identifiers
- Preferred name
- Benzoic acid, 4-(1-(((2-chloro-5-((4-(2,4-dipentylphenoxy)-1-oxobutyl)amino)phenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)-
- IUPAC
- 4-[1-[2-chloro-5-[4-(2,4-dipentylphenoxy)butanoylamino]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid
- English name
- 4-[1-[[2-chloro-5-[4-(2,4-dipentylphenoxy)butanoylamino]phenyl]carbamo yl]-3,3-dimethyl-2-oxo-butoxy]benzoic acid
- Molecular formula
- C40H51ClN2O7
- Molecular weight
- 707.31
Names & synonyms
Benzoic acid, 4-[1-[[[2-chloro-5-[[4-(2,4-dipentylphenoxy)-1-oxobutyl]amino]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-DTXSID20886207Benzoic acid, 4-(1-(((2-chloro-5-((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxybutyl)amino)phenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)-Benzoic acid, 4-(1-(((2-chloro-5-((4-(2,4-dipentylphenoxy)-1-oxobutyl)amino)phenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)-Benzoic acid, 4-(1-(((2-chloro-5-((4-(2,4-dipentylphenoxy)-1-oxobutyl)amino)phenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxyl)-RefChem:565870DTXCID80102554656912-33-5DVHHNFRIVCLAGN-UHFFFAOYSA-N4-[(1-{2-Chloro-5-[4-(2,4-dipentylphenoxy)butanamido]anilino}-4,4-dimethyl-1,3-dioxopentan-2-yl)oxy]benzoic acid4-[1-[[2-chloro-5-[4-(2,4-dipentylphenoxy)butanoylamino]phenyl]carbamo yl]-3,3-dimethyl-2-oxo-butoxy]benzoic acid4-[1-[[[2-Chloro-5-[[4-(2,4-dipentylphenoxy)-1-oxobutyl]amino]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid
Database identifiers
Properties
Computed structural properties
- XLogP
- 10.8
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 21
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,060
Physicochemical properties
- EPA Substance Registry System
- 4 · Benzoic acid, 4-[1-[[[2-chloro-5-[[4-(2,4-dipentylphenoxy)-1-oxobutyl]amino]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]- (56912-33-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-[1-[[[2-chloro-5-[[4-(2,4-dipentylphenoxy)-1-oxobutyl]amino]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-: INACTIVE
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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