3-(6-methoxyquinolin-4-yl)propyl 2-cyclohexylsulfanyl-2-ethyl-piperidine-3-carboxylate

Systemtic Name: 3-(6-methoxyquinolin-4-yl)propyl 2-cyclohexylsulfanyl-2-ethyl-piperidine-3-carboxylate Openeye Name: 3-(6-methoxy-4-quinolyl)propyl 2-cyclohexylsulfanyl-2-ethyl-piperidine-3-carboxylate CAS Name: 2-(cyclohexylthio)-2-ethyl-3-piperidinecarboxylic acid 3-(6-methoxy-4-quinolinyl)propyl ester IUPAC Name: 3-(6-methoxyquinolin-4-yl)propyl 2-cyclohexylsulfanyl-2-ethylpiperidine-3-carboxylate Traditional Name: 2-(cyclohexylthio)-2-ethyl-nipecotic acid 3-(6-methoxy-4-quinolyl)propyl ester Formula: C27H38N2O3S MolecularWeight: 470.66722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(CCCN1)C(=O)OCCCC2=C3C=C(C=CC3=NC=C2)OC)SC4CCCCC4

Isomeric SMILES

CCC1(C(CCCN1)C(=O)OCCCC2=C3C=C(C=CC3=NC=C2)OC)SC4CCCCC4

InChI

InChI=1S/C27H38N2O3S/c1-3-27(33-22-10-5-4-6-11-22)24(12-7-16-29-27)26(30)32-18-8-9-20-15-17-28-25-14-13-21(31-2)19-23(20)25/h13-15,17,19,22,24,29H,3-12,16,18H2,1-2H3