3-(4-azanylbutyl)-2-(3-methylphenyl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(3-methylphenyl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(m-tolyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(3-methylphenyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(3-methylphenyl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(m-tolyl)-1H-indole-5-carboxylic acid Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

InChI

InChI=1S/C20H22N2O2/c1-13-5-4-6-14(11-13)19-16(7-2-3-10-21)17-12-15(20(23)24)8-9-18(17)22-19/h4-6,8-9,11-12,22H,2-3,7,10,21H2,1H3,(H,23,24)