Basic information
- CAS
67114-23-2- Standard SMILES
CCOC(=O)c1ccc(CCN(CC)CCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc1- InChIKey
DNABOXHEQOCGIJ-UHFFFAOYSA-N- Molecular formula
- C27H37NO7
- Average molar mass
- 487.6 g/mol
- Monoisotopic mass
- 487.25700252
Names & identifiers
- Preferred name
- Benzoic acid, 4-(2-(N-ethyl-N-(4-hydroxybutyl)amino)ethyl)-, ethyl ester, 3,4,5-trimethoxybenzoate (ester)
- IUPAC
- 4-[2-(4-ethoxycarbonylphenyl)ethyl-ethylamino]butyl 3,4,5-trimethoxybenzoate
- English name
- 4-[2-[N-Ethyl-N-[4-(3,4,5-trimethoxybenzoyloxy)butyl]amino]ethyl]benzoic acid ethyl ester
- Molecular formula
- C27H37NO7
- Molecular weight
- 487.59
Names & synonyms
67114-23-2Benzoic acid, 4-(2-(N-ethyl-N-(4-hydroxybutyl)amino)ethyl)-, ethyl ester, 3,4,5-trimethoxybenzoate (ester)DTXSID00217414RefChem:327408DTXCID001399054-[{2-[4-(Ethoxycarbonyl)phenyl]ethyl}(ethyl)amino]butyl 3,4,5-trimethoxybenzoate4-[2-[N-Ethyl-N-[4-(3,4,5-trimethoxybenzoyloxy)butyl]amino]ethyl]benzoic acid ethyl esterBenzoic acid, 3,4,5-trimethoxy-, 4-[[2-[4-(ethoxycarbonyl)phenyl]ethyl]ethylamino]butyl ester
Database identifiers
- CAS
67114-23-2- PubChem CID
- 49368
- DTXSID
DTXSID00217414- Nikkaji
- J83.400I
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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