Basic information
- Standard SMILES
CCOC(=O)c1ccc(-c2ccccc2Cn2c(C)c(C)c3cc(C(=O)O)ccc32)cc1- InChIKey
ZVKRASHWHMDXAZ-UHFFFAOYSA-N- Molecular formula
- C27H25NO4
- Average molar mass
- 427.5 g/mol
Names & identifiers
- Preferred name
- 1-((4'-(Ethoxycarbonyl)-[1,1'-biphenyl]-2-yl)methyl)-2,3-dimethyl-1H-indole-5-carboxylic acid
- IUPAC
- 1-[[2-(4-ethoxycarbonylphenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxylic acid
Names & synonyms
SCHEMBL14120270ZVKRASHWHMDXAZ-UHFFFAOYSA-N1-((4'-(Ethoxycarbonyl)-[1,1'-biphenyl]-2-yl)methyl)-2,3-dimethyl-1H-indole-5-carboxylic acid
Database identifiers
- PubChem CID
- 71074347
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 658
Related reactions
3 records
Compound notes
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