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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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