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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN)OC

InChI

InChI=1S/C21H24N2O4/c1-26-15-9-14(10-16(12-15)27-2)20-17(5-3-4-8-22)18-11-13(21(24)25)6-7-19(18)23-20/h6-7,9-12,23H,3-5,8,22H2,1-2H3,(H,24,25)