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

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(3-thiophen-3-ylsulfanylpropyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-[3-(3-thienylsulfanyl)propyl]piperidine-4-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)propyl]-1-[3-(3-thiophenylthio)propyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(3-thiophen-3-ylsulfanylpropyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-[3-(3-thienylthio)propyl]isonipecotic acid Formula: C26H31ClN2O3S2 MolecularWeight: 519.11894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3(CCN(CC3)CCCSC4=CSC=C4)C(=O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3(CCN(CC3)CCCSC4=CSC=C4)C(=O)O

InChI

InChI=1S/C26H31ClN2O3S2/c1-32-19-5-6-24-22(16-19)21(23(27)17-28-24)4-2-8-26(25(30)31)9-12-29(13-10-26)11-3-14-34-20-7-15-33-18-20/h5-7,15-18H,2-4,8-14H2,1H3,(H,30,31)