1-butyl-2-(phenylcarbonyl)indole-3-carboxylic acid

Systemtic Name: 1-butyl-2-(phenylcarbonyl)indole-3-carboxylic acid Openeye Name: 2-benzoyl-1-butyl-indole-3-carboxylic acid CAS Name: 2-benzoyl-1-butyl-3-indolecarboxylic acid IUPAC Name: 2-benzoyl-1-butylindole-3-carboxylic acid Traditional Name: 2-benzoyl-1-butyl-indole-3-carboxylic acid Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C1C(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=C1C(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H19NO3/c1-2-3-13-21-16-12-8-7-11-15(16)17(20(23)24)18(21)19(22)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,23,24)