4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-cyclopentylsulfanylethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-cyclopentylsulfanylethyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-(2-cyclopentylsulfanylethyl)piperidine-4-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)propyl]-1-[2-(cyclopentylthio)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(2-cyclopentylsulfanylethyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-[2-(cyclopentylthio)ethyl]isonipecotic acid Formula: C26H35ClN2O3S MolecularWeight: 491.0857

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3(CCN(CC3)CCSC4CCCC4)C(=O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3(CCN(CC3)CCSC4CCCC4)C(=O)O

InChI

InChI=1S/C26H35ClN2O3S/c1-32-19-8-9-24-22(17-19)21(23(27)18-28-24)7-4-10-26(25(30)31)11-13-29(14-12-26)15-16-33-20-5-2-3-6-20/h8-9,17-18,20H,2-7,10-16H2,1H3,(H,30,31)