3-(4-azanylbutyl)-7-chloranyl-2-(2,6-dimethoxyphenyl)-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(2,6-dimethoxyphenyl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(2,6-dimethoxyphenyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(2,6-dimethoxyphenyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(2,6-dimethoxyphenyl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(2,6-dimethoxyphenyl)-1H-indole-4-carboxylic acid Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C21H23ClN2O4/c1-27-15-7-5-8-16(28-2)18(15)19-12(6-3-4-11-23)17-13(21(25)26)9-10-14(22)20(17)24-19/h5,7-10,24H,3-4,6,11,23H2,1-2H3,(H,25,26)