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

Systemtic Name: 3-(6-methoxyquinolin-4-yl)propyl 2-[1-(2-cyclohexylsulfanylethyl)piperidin-3-yl]ethanoate Openeye Name: 3-(6-methoxy-4-quinolyl)propyl 2-[1-(2-cyclohexylsulfanylethyl)-3-piperidyl]acetate CAS Name: 2-[1-[2-(cyclohexylthio)ethyl]-3-piperidinyl]acetic acid 3-(6-methoxy-4-quinolinyl)propyl ester IUPAC Name: 3-(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-(6-methoxy-4-quinolyl)propyl ester Formula: C28H40N2O3S MolecularWeight: 484.6938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O3S/c1-32-24-11-12-27-26(20-24)23(13-14-29-27)8-6-17-33-28(31)19-22-7-5-15-30(21-22)16-18-34-25-9-3-2-4-10-25/h11-14,20,22,25H,2-10,15-19,21H2,1H3