Basic information
- Standard SMILES
CCCCCn1c(C)c(C(=O)c2ccccc2C(=O)O)c2ccccc21- InChIKey
NAKNSDZKWCIDFJ-UHFFFAOYSA-N- Molecular formula
- C22H23NO3
- Average molar mass
- 349.4 g/mol
Names & identifiers
- Preferred name
- 3-(2'-Carboxybenzoyl)-1-n-pentyl-2-methyl-indole
- IUPAC
- 2-(2-methyl-1-pentylindole-3-carbonyl)benzoic acid
Names & synonyms
SCHEMBL11315147NAKNSDZKWCIDFJ-UHFFFAOYSA-N3-(2'-carboxybenzoyl)-1-n-pentyl-2-methyl-indole
Database identifiers
- PubChem CID
- 20565148
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 506
Related reactions
3 records
Compound notes
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