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

Systemtic Name: 2-[4-[3-(6-methoxy-3-methyl-quinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidin-4-yl]ethanoic acid Openeye Name: 2-[4-[3-(6-methoxy-3-methyl-4-quinolyl)propyl]-1-[2-(2-thienylsulfanyl)ethyl]-4-piperidyl]acetic acid CAS Name: 2-[4-[3-(6-methoxy-3-methyl-4-quinolinyl)propyl]-1-[2-(thiophen-2-ylthio)ethyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidin-4-yl]acetic acid Traditional Name: 2-[4-[3-(6-methoxy-3-methyl-4-quinolyl)propyl]-1-[2-(2-thienylthio)ethyl]-4-piperidyl]acetic acid Formula: C27H34N2O3S2 MolecularWeight: 498.70046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C=CC(=CC2=C1CCCC3(CCN(CC3)CCSC4=CC=CS4)CC(=O)O)OC

Isomeric SMILES

CC1=CN=C2C=CC(=CC2=C1CCCC3(CCN(CC3)CCSC4=CC=CS4)CC(=O)O)OC

InChI

InChI=1S/C27H34N2O3S2/c1-20-19-28-24-8-7-21(32-2)17-23(24)22(20)5-3-9-27(18-25(30)31)10-12-29(13-11-27)14-16-34-26-6-4-15-33-26/h4,6-8,15,17,19H,3,5,9-14,16,18H2,1-2H3,(H,30,31)