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

Systemtic Name: 1-butyl-2-(phenylmethyl)indole-3-carboxylic acid Openeye Name: 2-benzyl-1-butyl-indole-3-carboxylic acid CAS Name: 1-butyl-2-(phenylmethyl)-3-indolecarboxylic acid IUPAC Name: 2-benzyl-1-butylindole-3-carboxylic acid Traditional Name: 2-benzyl-1-butyl-indole-3-carboxylic acid Formula: C20H21NO2 MolecularWeight: 307.38624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C1CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=C1CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H21NO2/c1-2-3-13-21-17-12-8-7-11-16(17)19(20(22)23)18(21)14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H,22,23)