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

Systemtic Name: 2-[1-(2-cyclopentylsulfanylethyl)-4-[3-(6-methoxy-3-methyl-quinolin-4-yl)propyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-(2-cyclopentylsulfanylethyl)-4-[3-(6-methoxy-3-methyl-4-quinolyl)propyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[2-(cyclopentylthio)ethyl]-4-[3-(6-methoxy-3-methyl-4-quinolinyl)propyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-(2-cyclopentylsulfanylethyl)-4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[2-(cyclopentylthio)ethyl]-4-[3-(6-methoxy-3-methyl-4-quinolyl)propyl]-4-piperidyl]acetic acid Formula: C28H40N2O3S MolecularWeight: 484.6938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C=CC(=CC2=C1CCCC3(CCN(CC3)CCSC4CCCC4)CC(=O)O)OC

Isomeric SMILES

CC1=CN=C2C=CC(=CC2=C1CCCC3(CCN(CC3)CCSC4CCCC4)CC(=O)O)OC

InChI

InChI=1S/C28H40N2O3S/c1-21-20-29-26-10-9-22(33-2)18-25(26)24(21)8-5-11-28(19-27(31)32)12-14-30(15-13-28)16-17-34-23-6-3-4-7-23/h9-10,18,20,23H,3-8,11-17,19H2,1-2H3,(H,31,32)