2-[1-(2-cyclopentylsulfanylethyl)-4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[1-(2-cyclopentylsulfanylethyl)-4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]piperidin-3-yl]ethanoic acid Openeye Name: 2-[1-(2-cyclopentylsulfanylethyl)-4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-3-piperidyl]acetic acid CAS Name: 2-[1-[2-(cyclopentylthio)ethyl]-4-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-3-piperidinyl]acetic acid IUPAC Name: 2-[1-(2-cyclopentylsulfanylethyl)-4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetic acid Traditional Name: 2-[1-[2-(cyclopentylthio)ethyl]-4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-3-piperidyl]acetic acid Formula: C27H37FN2O3S MolecularWeight: 488.657683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3CCN(CC3CC(=O)O)CCSC4CCCC4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3CCN(CC3CC(=O)O)CCSC4CCCC4

InChI

InChI=1S/C27H37FN2O3S/c1-33-21-9-10-26-24(16-21)23(25(28)17-29-26)8-4-5-19-11-12-30(18-20(19)15-27(31)32)13-14-34-22-6-2-3-7-22/h9-10,16-17,19-20,22H,2-8,11-15,18H2,1H3,(H,31,32)