3-(4-azanylbutyl)-7-chloranyl-2-(6-methoxyquinolin-5-yl)-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(6-methoxyquinolin-5-yl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(6-methoxy-5-quinolyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(6-methoxy-5-quinolinyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(6-methoxyquinolin-5-yl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(6-methoxy-5-quinolyl)-1H-indole-4-carboxylic acid Formula: C23H22ClN3O3 MolecularWeight: 423.89208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)N=CC=C2)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

Isomeric SMILES

COC1=C(C2=C(C=C1)N=CC=C2)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C23H22ClN3O3/c1-30-18-10-9-17-13(6-4-12-26-17)20(18)21-14(5-2-3-11-25)19-15(23(28)29)7-8-16(24)22(19)27-21/h4,6-10,12,27H,2-3,5,11,25H2,1H3,(H,28,29)