3-(4-azanylbutyl)-7-chloranyl-2-(3,5-dimethoxyphenyl)-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(3,5-dimethoxyphenyl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(3,5-dimethoxyphenyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(3,5-dimethoxyphenyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(3,5-dimethoxyphenyl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(3,5-dimethoxyphenyl)-1H-indole-4-carboxylic acid Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4/c1-27-13-9-12(10-14(11-13)28-2)19-15(5-3-4-8-23)18-16(21(25)26)6-7-17(22)20(18)24-19/h6-7,9-11,24H,3-5,8,23H2,1-2H3,(H,25,26)