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

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-propylsulfanylethyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-(2-propylsulfanylethyl)piperidine-3-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)propyl]-1-[2-(propylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(2-propylsulfanylethyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-[2-(propylthio)ethyl]nipecotic acid Formula: C24H33ClN2O3S MolecularWeight: 465.04842

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCN1CCC(C(C1)C(=O)O)CCCC2=C3C=C(C=CC3=NC=C2Cl)OC

Isomeric SMILES

CCCSCCN1CCC(C(C1)C(=O)O)CCCC2=C3C=C(C=CC3=NC=C2Cl)OC

InChI

InChI=1S/C24H33ClN2O3S/c1-3-12-31-13-11-27-10-9-17(21(16-27)24(28)29)5-4-6-19-20-14-18(30-2)7-8-23(20)26-15-22(19)25/h7-8,14-15,17,21H,3-6,9-13,16H2,1-2H3,(H,28,29)