ethyl 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-cyclopentylsulfanylethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-cyclopentylsulfanylethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-(2-cyclopentylsulfanylethyl)piperidine-4-carboxylate CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)propyl]-1-[2-(cyclopentylthio)ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(2-cyclopentylsulfanylethyl)piperidine-4-carboxylate Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-[2-(cyclopentylthio)ethyl]isonipecotic acid ethyl ester Formula: C28H39ClN2O3S MolecularWeight: 519.13886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCSC2CCCC2)CCCC3=C4C=C(C=CC4=NC=C3Cl)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCSC2CCCC2)CCCC3=C4C=C(C=CC4=NC=C3Cl)OC

InChI

InChI=1S/C28H39ClN2O3S/c1-3-34-27(32)28(13-15-31(16-14-28)17-18-35-22-7-4-5-8-22)12-6-9-23-24-19-21(33-2)10-11-26(24)30-20-25(23)29/h10-11,19-20,22H,3-9,12-18H2,1-2H3