3-(4-azanylbutyl)-7-chloranyl-2-(2-methoxy-3-methyl-phenyl)-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(2-methoxy-3-methyl-phenyl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(2-methoxy-3-methyl-phenyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(2-methoxy-3-methylphenyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(2-methoxy-3-methylphenyl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(2-methoxy-3-methyl-phenyl)-1H-indole-4-carboxylic acid Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

Isomeric SMILES

CC1=CC=CC(=C1OC)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C21H23ClN2O3/c1-12-6-5-8-15(20(12)27-2)18-13(7-3-4-11-23)17-14(21(25)26)9-10-16(22)19(17)24-18/h5-6,8-10,24H,3-4,7,11,23H2,1-2H3,(H,25,26)