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

Systemtic Name: 2-cyclohexylsulfanylethyl 2-[4-[3-(6-methoxyquinolin-4-yl)propyl]-3-oxidanyl-piperidin-3-yl]ethanoate Openeye Name: 2-cyclohexylsulfanylethyl 2-[3-hydroxy-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]acetate CAS Name: 2-[3-hydroxy-4-[3-(6-methoxy-4-quinolinyl)propyl]-3-piperidinyl]acetic acid 2-(cyclohexylthio)ethyl ester IUPAC Name: 2-cyclohexylsulfanylethyl 2-[3-hydroxy-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetate Traditional Name: 2-[3-hydroxy-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]acetic acid 2-(cyclohexylthio)ethyl ester Formula: C28H40N2O4S MolecularWeight: 500.6932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CCCC3CCNCC3(CC(=O)OCCSC4CCCCC4)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CCCC3CCNCC3(CC(=O)OCCSC4CCCCC4)O

InChI

InChI=1S/C28H40N2O4S/c1-33-23-10-11-26-25(18-23)21(12-15-30-26)6-5-7-22-13-14-29-20-28(22,32)19-27(31)34-16-17-35-24-8-3-2-4-9-24/h10-12,15,18,22,24,29,32H,2-9,13-14,16-17,19-20H2,1H3