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

Systemtic Name: 3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl 1-(2-cyclopentylsulfanylethyl)piperidine-4-carboxylate Openeye Name: 3-(3-chloro-6-methoxy-4-quinolyl)propyl 1-(2-cyclopentylsulfanylethyl)piperidine-4-carboxylate CAS Name: 1-[2-(cyclopentylthio)ethyl]-4-piperidinecarboxylic acid 3-(3-chloro-6-methoxy-4-quinolinyl)propyl ester IUPAC Name: 3-(3-chloro-6-methoxyquinolin-4-yl)propyl 1-(2-cyclopentylsulfanylethyl)piperidine-4-carboxylate Traditional Name: 1-[2-(cyclopentylthio)ethyl]isonipecotic acid 3-(3-chloro-6-methoxy-4-quinolyl)propyl ester Formula: C26H35ClN2O3S MolecularWeight: 491.0857

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCOC(=O)C3CCN(CC3)CCSC4CCCC4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCOC(=O)C3CCN(CC3)CCSC4CCCC4

InChI

InChI=1S/C26H35ClN2O3S/c1-31-20-8-9-25-23(17-20)22(24(27)18-28-25)7-4-15-32-26(30)19-10-12-29(13-11-19)14-16-33-21-5-2-3-6-21/h8-9,17-19,21H,2-7,10-16H2,1H3