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

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-1-oxidanyl-propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-1-hydroxy-propyl]-1-[2-(2-thienylsulfanyl)ethyl]piperidine-3-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)-1-hydroxypropyl]-1-[2-(thiophen-2-ylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)-1-hydroxypropyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-1-hydroxy-propyl]-1-[2-(2-thienylthio)ethyl]nipecotic acid Formula: C25H29ClN2O4S2 MolecularWeight: 521.09176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCC(C3CCN(CC3C(=O)O)CCSC4=CC=CS4)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCC(C3CCN(CC3C(=O)O)CCSC4=CC=CS4)O

InChI

InChI=1S/C25H29ClN2O4S2/c1-32-16-4-6-22-19(13-16)17(21(26)14-27-22)5-7-23(29)18-8-9-28(15-20(18)25(30)31)10-12-34-24-3-2-11-33-24/h2-4,6,11,13-14,18,20,23,29H,5,7-10,12,15H2,1H3,(H,30,31)