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

Systemtic Name: [3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl] 1-(2-cycloheptylsulfanylethyl)piperidine-3-carboxylate Openeye Name: [3-hydroxy-3-(6-methoxy-4-quinolyl)propyl] 1-(2-cycloheptylsulfanylethyl)piperidine-3-carboxylate CAS Name: 1-[2-(cycloheptylthio)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-cycloheptylsulfanylethyl)piperidine-3-carboxylate Traditional Name: 1-[2-(cycloheptylthio)ethyl]nipecotic acid [3-hydroxy-3-(6-methoxy-4-quinolyl)propyl] ester Formula: C28H40N2O4S MolecularWeight: 500.6932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CCOC(=O)C3CCCN(C3)CCSC4CCCCCC4)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCOC(=O)C3CCCN(C3)CCSC4CCCCCC4)O

InChI

InChI=1S/C28H40N2O4S/c1-33-22-10-11-26-25(19-22)24(12-14-29-26)27(31)13-17-34-28(32)21-7-6-15-30(20-21)16-18-35-23-8-4-2-3-5-9-23/h10-12,14,19,21,23,27,31H,2-9,13,15-18,20H2,1H3