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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3CCN(CC3C(=O)O)CCSC4CCCC4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3CCN(CC3C(=O)O)CCSC4CCCC4

InChI

InChI=1S/C26H35ClN2O3S/c1-32-19-9-10-25-22(15-19)21(24(27)16-28-25)8-4-5-18-11-12-29(17-23(18)26(30)31)13-14-33-20-6-2-3-7-20/h9-10,15-16,18,20,23H,2-8,11-14,17H2,1H3,(H,30,31)