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

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-1-(2-pyridin-3-ylsulfanylethyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-1-[2-(3-pyridylsulfanyl)ethyl]piperidine-4-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-hydroxypropyl]-1-[2-(3-pyridinylthio)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-(2-pyridin-3-ylsulfanylethyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-1-[2-(3-pyridylthio)ethyl]isonipecotic acid Formula: C26H30ClN3O4S MolecularWeight: 516.0521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3(CCN(CC3)CCSC4=CN=CC=C4)C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3(CCN(CC3)CCSC4=CN=CC=C4)C(=O)O)O

InChI

InChI=1S/C26H30ClN3O4S/c1-34-18-4-5-22-20(15-18)24(21(27)17-29-22)23(31)6-7-26(25(32)33)8-11-30(12-9-26)13-14-35-19-3-2-10-28-16-19/h2-5,10,15-17,23,31H,6-9,11-14H2,1H3,(H,32,33)