1-(2-cyclohexylsulfanylethyl)-4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)-3-oxidanylidene-propyl]piperidine-3-carboxylate

Systemtic Name: 1-(2-cyclohexylsulfanylethyl)-4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)-3-oxidanylidene-propyl]piperidine-3-carboxylate Openeye Name: 1-(2-cyclohexylsulfanylethyl)-4-[3-(3-fluoro-6-methoxy-4-quinolyl)-3-oxo-propyl]piperidine-3-carboxylate CAS Name: 1-[2-(cyclohexylthio)ethyl]-4-[3-(3-fluoro-6-methoxy-4-quinolinyl)-3-oxopropyl]-3-piperidinecarboxylate IUPAC Name: 1-(2-cyclohexylsulfanylethyl)-4-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylate Traditional Name: 1-[2-(cyclohexylthio)ethyl]-4-[3-(3-fluoro-6-methoxy-4-quinolyl)-3-keto-propyl]nipecotate Formula: C27H34FN2O4S- MolecularWeight: 501.633263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)C(=O)CCC3CCN(CC3C(=O)[O-])CCSC4CCCCC4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)C(=O)CCC3CCN(CC3C(=O)[O-])CCSC4CCCCC4

InChI

InChI=1S/C27H35FN2O4S/c1-34-19-8-9-24-21(15-19)26(23(28)16-29-24)25(31)10-7-18-11-12-30(17-22(18)27(32)33)13-14-35-20-5-3-2-4-6-20/h8-9,15-16,18,20,22H,2-7,10-14,17H2,1H3,(H,32,33)/p-1