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

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-pyridin-2-ylsulfanylethyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-pyridylsulfanyl)ethyl]piperidine-4-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)propyl]-1-[2-(2-pyridinylthio)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(2-pyridin-2-ylsulfanylethyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-pyridylthio)ethyl]isonipecotic acid Formula: C26H30ClN3O3S MolecularWeight: 500.0527

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3(CCN(CC3)CCSC4=CC=CC=N4)C(=O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3(CCN(CC3)CCSC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C26H30ClN3O3S/c1-33-19-7-8-23-21(17-19)20(22(27)18-29-23)5-4-9-26(25(31)32)10-13-30(14-11-26)15-16-34-24-6-2-3-12-28-24/h2-3,6-8,12,17-18H,4-5,9-11,13-16H2,1H3,(H,31,32)