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

Systemtic Name: 3-(4-azanylbutyl)-2-(2,3-dimethoxyphenyl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(2,3-dimethoxyphenyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(2,3-dimethoxyphenyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(2,3-dimethoxyphenyl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(2,3-dimethoxyphenyl)-1H-indole-5-carboxylic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

InChI

InChI=1S/C21H24N2O4/c1-26-18-8-5-7-15(20(18)27-2)19-14(6-3-4-11-22)16-12-13(21(24)25)9-10-17(16)23-19/h5,7-10,12,23H,3-4,6,11,22H2,1-2H3,(H,24,25)