3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl 2-[1-(2-cyclohexylsulfanylethyl)piperidin-3-yl]ethanoate

Systemtic Name: 3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl 2-[1-(2-cyclohexylsulfanylethyl)piperidin-3-yl]ethanoate Openeye Name: 3-(3-fluoro-6-methoxy-4-quinolyl)propyl 2-[1-(2-cyclohexylsulfanylethyl)-3-piperidyl]acetate CAS Name: 2-[1-[2-(cyclohexylthio)ethyl]-3-piperidinyl]acetic acid 3-(3-fluoro-6-methoxy-4-quinolinyl)propyl ester IUPAC Name: 3-(3-fluoro-6-methoxyquinolin-4-yl)propyl 2-[1-(2-cyclohexylsulfanylethyl)piperidin-3-yl]acetate Traditional Name: 2-[1-[2-(cyclohexylthio)ethyl]-3-piperidyl]acetic acid 3-(3-fluoro-6-methoxy-4-quinolyl)propyl ester Formula: C28H39FN2O3S MolecularWeight: 502.684263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCOC(=O)CC3CCCN(C3)CCSC4CCCCC4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCOC(=O)CC3CCCN(C3)CCSC4CCCCC4

InChI

InChI=1S/C28H39FN2O3S/c1-33-22-11-12-27-25(18-22)24(26(29)19-30-27)10-6-15-34-28(32)17-21-7-5-13-31(20-21)14-16-35-23-8-3-2-4-9-23/h11-12,18-19,21,23H,2-10,13-17,20H2,1H3