3-(4-azanylbutyl)-7-chloranyl-2-(4-methoxyquinolin-2-yl)-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(4-methoxyquinolin-2-yl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(4-methoxy-2-quinolyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(4-methoxy-2-quinolinyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(4-methoxyquinolin-2-yl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(4-methoxy-2-quinolyl)-1H-indole-4-carboxylic acid Formula: C23H22ClN3O3 MolecularWeight: 423.89208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C23H22ClN3O3/c1-30-19-12-18(26-17-8-3-2-6-13(17)19)21-14(7-4-5-11-25)20-15(23(28)29)9-10-16(24)22(20)27-21/h2-3,6,8-10,12,27H,4-5,7,11,25H2,1H3,(H,28,29)