2-[3-(4-azanylbutyl)-2-(4-methylphenyl)-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(4-methylphenyl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(p-tolyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(4-methylphenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(4-methylphenyl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(p-tolyl)-1H-indol-5-yl]acetic acid Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2/c1-14-5-8-16(9-6-14)21-17(4-2-3-11-22)18-12-15(13-20(24)25)7-10-19(18)23-21/h5-10,12,23H,2-4,11,13,22H2,1H3,(H,24,25)