Basic information
- Standard SMILES
COC(=O)c1ccc(CCN(C)CCCC(C(=O)OC)(c2ccc(OC)c(OC)c2)C(C)C)cc1- InChIKey
BCNOQOCLQWOBLL-UHFFFAOYSA-N- Molecular formula
- C28H39NO6
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.27773796
Names & identifiers
- Preferred name
- Methyl 4-(2-((4-(3,4-dimethoxyphenyl)-4-(methoxycarbonyl)-5-methylhexyl)(methyl)amino)ethyl)benzoate
- IUPAC
- methyl 4-[2-[[4-(3,4-dimethoxyphenyl)-4-methoxycarbonyl-5-methylhexyl]-methylamino]ethyl]benzoate
Names & synonyms
SCHEMBL3009274BCNOQOCLQWOBLL-UHFFFAOYSA-NMethyl 4-(2-((4-(3,4-dimethoxyphenyl)-4-(methoxycarbonyl)-5-methylhexyl)(methyl)amino)ethyl)benzoate
Database identifiers
- PubChem CID
- 25129274
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 647
Related reactions
1 records
Compound notes
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