4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanylidene-propyl]-1-(2-propylsulfanylethyl)piperidine-3-carboxylic acid

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanylidene-propyl]-1-(2-propylsulfanylethyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-oxo-propyl]-1-(2-propylsulfanylethyl)piperidine-3-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-oxopropyl]-1-[2-(propylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-oxopropyl]-1-(2-propylsulfanylethyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-keto-propyl]-1-[2-(propylthio)ethyl]nipecotic acid Formula: C24H31ClN2O4S MolecularWeight: 479.03194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSCCN1CCC(C(C1)C(=O)O)CCC(=O)C2=C3C=C(C=CC3=NC=C2Cl)OC

Isomeric SMILES

CCCSCCN1CCC(C(C1)C(=O)O)CCC(=O)C2=C3C=C(C=CC3=NC=C2Cl)OC

InChI

InChI=1S/C24H31ClN2O4S/c1-3-11-32-12-10-27-9-8-16(19(15-27)24(29)30)4-7-22(28)23-18-13-17(31-2)5-6-21(18)26-14-20(23)25/h5-6,13-14,16,19H,3-4,7-12,15H2,1-2H3,(H,29,30)