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

Systemtic Name: [3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl] 1-(2-cyclopentylsulfanylethyl)piperidine-3-carboxylate Openeye Name: [3-hydroxy-3-(6-methoxy-4-quinolyl)propyl] 1-(2-cyclopentylsulfanylethyl)piperidine-3-carboxylate CAS Name: 1-[2-(cyclopentylthio)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-cyclopentylsulfanylethyl)piperidine-3-carboxylate Traditional Name: 1-[2-(cyclopentylthio)ethyl]nipecotic acid [3-hydroxy-3-(6-methoxy-4-quinolyl)propyl] ester Formula: C26H36N2O4S MolecularWeight: 472.64004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CCOC(=O)C3CCCN(C3)CCSC4CCCC4)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCOC(=O)C3CCCN(C3)CCSC4CCCC4)O

InChI

InChI=1S/C26H36N2O4S/c1-31-20-8-9-24-23(17-20)22(10-12-27-24)25(29)11-15-32-26(30)19-5-4-13-28(18-19)14-16-33-21-6-2-3-7-21/h8-10,12,17,19,21,25,29H,2-7,11,13-16,18H2,1H3