[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl] 1-(2-cyclohexylsulfanylethyl)piperidine-3-carboxylate

Systemtic Name: [3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl] 1-(2-cyclohexylsulfanylethyl)piperidine-3-carboxylate Openeye Name: [3-hydroxy-3-(6-methoxy-4-quinolyl)propyl] 1-(2-cyclohexylsulfanylethyl)piperidine-3-carboxylate CAS Name: 1-[2-(cyclohexylthio)ethyl]-3-piperidinecarboxylic acid [3-hydroxy-3-(6-methoxy-4-quinolinyl)propyl] ester IUPAC Name: [3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl] 1-(2-cyclohexylsulfanylethyl)piperidine-3-carboxylate Traditional Name: 1-[2-(cyclohexylthio)ethyl]nipecotic acid [3-hydroxy-3-(6-methoxy-4-quinolyl)propyl] ester Formula: C27H38N2O4S MolecularWeight: 486.66662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CCOC(=O)C3CCCN(C3)CCSC4CCCCC4)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCOC(=O)C3CCCN(C3)CCSC4CCCCC4)O

InChI

InChI=1S/C27H38N2O4S/c1-32-21-9-10-25-24(18-21)23(11-13-28-25)26(30)12-16-33-27(31)20-6-5-14-29(19-20)15-17-34-22-7-3-2-4-8-22/h9-11,13,18,20,22,26,30H,2-8,12,14-17,19H2,1H3