3-(6-methoxyquinolin-4-yl)propyl 1-cyclohexylsulfanyl-2-ethyl-piperidine-3-carboxylate

Systemtic Name: 3-(6-methoxyquinolin-4-yl)propyl 1-cyclohexylsulfanyl-2-ethyl-piperidine-3-carboxylate Openeye Name: 3-(6-methoxy-4-quinolyl)propyl 1-cyclohexylsulfanyl-2-ethyl-piperidine-3-carboxylate CAS Name: 1-(cyclohexylthio)-2-ethyl-3-piperidinecarboxylic acid 3-(6-methoxy-4-quinolinyl)propyl ester IUPAC Name: 3-(6-methoxyquinolin-4-yl)propyl 1-cyclohexylsulfanyl-2-ethylpiperidine-3-carboxylate Traditional Name: 1-(cyclohexylthio)-2-ethyl-nipecotic acid 3-(6-methoxy-4-quinolyl)propyl ester Formula: C27H38N2O3S MolecularWeight: 470.66722

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CCCN1SC2CCCCC2)C(=O)OCCCC3=C4C=C(C=CC4=NC=C3)OC

Isomeric SMILES

CCC1C(CCCN1SC2CCCCC2)C(=O)OCCCC3=C4C=C(C=CC4=NC=C3)OC

InChI

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