3-methyl-1-(1-phenylbutyl)indole-6-carboxylic acid

Systemtic Name: 3-methyl-1-(1-phenylbutyl)indole-6-carboxylic acid Openeye Name: 3-methyl-1-(1-phenylbutyl)indole-6-carboxylic acid CAS Name: 3-methyl-1-(1-phenylbutyl)-6-indolecarboxylic acid IUPAC Name: 3-methyl-1-(1-phenylbutyl)indole-6-carboxylic acid Traditional Name: 3-methyl-1-(1-phenylbutyl)indole-6-carboxylic acid Formula: C20H21NO2 MolecularWeight: 307.38624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)N2C=C(C3=C2C=C(C=C3)C(=O)O)C

Isomeric SMILES

CCCC(C1=CC=CC=C1)N2C=C(C3=C2C=C(C=C3)C(=O)O)C

InChI

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