3-(4-azanylbutyl)-7-methyl-2-(3-methylphenyl)-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-methyl-2-(3-methylphenyl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-methyl-2-(m-tolyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-methyl-2-(3-methylphenyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-methyl-2-(3-methylphenyl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-methyl-2-(m-tolyl)-1H-indole-4-carboxylic acid Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC(=CC=C3)C)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC(=CC=C3)C)CCCCN

InChI

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