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

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-cyclobutylsulfanylethyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-(2-cyclobutylsulfanylethyl)piperidine-3-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)propyl]-1-[2-(cyclobutylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(2-cyclobutylsulfanylethyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-[2-(cyclobutylthio)ethyl]nipecotic acid Formula: C25H33ClN2O3S MolecularWeight: 477.05912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3CCN(CC3C(=O)O)CCSC4CCC4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3CCN(CC3C(=O)O)CCSC4CCC4

InChI

InChI=1S/C25H33ClN2O3S/c1-31-18-8-9-24-21(14-18)20(23(26)15-27-24)7-2-4-17-10-11-28(16-22(17)25(29)30)12-13-32-19-5-3-6-19/h8-9,14-15,17,19,22H,2-7,10-13,16H2,1H3,(H,29,30)