[3-(6-methoxyquinolin-4-yl)-3-oxidanylidene-propyl] 2-[1-(2-cyclopentylsulfanylethyl)piperidin-3-yl]ethanoate

Systemtic Name: [3-(6-methoxyquinolin-4-yl)-3-oxidanylidene-propyl] 2-[1-(2-cyclopentylsulfanylethyl)piperidin-3-yl]ethanoate Openeye Name: [3-(6-methoxy-4-quinolyl)-3-oxo-propyl] 2-[1-(2-cyclopentylsulfanylethyl)-3-piperidyl]acetate CAS Name: 2-[1-[2-(cyclopentylthio)ethyl]-3-piperidinyl]acetic acid [3-(6-methoxy-4-quinolinyl)-3-oxopropyl] ester IUPAC Name: [3-(6-methoxyquinolin-4-yl)-3-oxopropyl] 2-[1-(2-cyclopentylsulfanylethyl)piperidin-3-yl]acetate Traditional Name: 2-[1-[2-(cyclopentylthio)ethyl]-3-piperidyl]acetic acid [3-keto-3-(6-methoxy-4-quinolyl)propyl] ester Formula: C27H36N2O4S MolecularWeight: 484.65074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(=O)CCOC(=O)CC3CCCN(C3)CCSC4CCCC4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(=O)CCOC(=O)CC3CCCN(C3)CCSC4CCCC4

InChI

InChI=1S/C27H36N2O4S/c1-32-21-8-9-25-24(18-21)23(10-12-28-25)26(30)11-15-33-27(31)17-20-5-4-13-29(19-20)14-16-34-22-6-2-3-7-22/h8-10,12,18,20,22H,2-7,11,13-17,19H2,1H3