3-(4-azanylbutyl)-2-(2-methoxy-3-methyl-phenyl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(2-methoxy-3-methyl-phenyl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(2-methoxy-3-methyl-phenyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(2-methoxy-3-methylphenyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(2-methoxy-3-methylphenyl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(2-methoxy-3-methyl-phenyl)-1H-indole-5-carboxylic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

Isomeric SMILES

CC1=CC=CC(=C1OC)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

InChI

InChI=1S/C21H24N2O3/c1-13-6-5-8-16(20(13)26-2)19-15(7-3-4-11-22)17-12-14(21(24)25)9-10-18(17)23-19/h5-6,8-10,12,23H,3-4,7,11,22H2,1-2H3,(H,24,25)