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

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanylidene-propyl]-1-(2-cyclobutylsulfanylethyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-oxo-propyl]-1-(2-cyclobutylsulfanylethyl)piperidine-3-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-oxopropyl]-1-[2-(cyclobutylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-oxopropyl]-1-(2-cyclobutylsulfanylethyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-keto-propyl]-1-[2-(cyclobutylthio)ethyl]nipecotic acid Formula: C25H31ClN2O4S MolecularWeight: 491.04264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(=O)CCC3CCN(CC3C(=O)O)CCSC4CCC4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(=O)CCC3CCN(CC3C(=O)O)CCSC4CCC4

InChI

InChI=1S/C25H31ClN2O4S/c1-32-17-6-7-22-19(13-17)24(21(26)14-27-22)23(29)8-5-16-9-10-28(15-20(16)25(30)31)11-12-33-18-3-2-4-18/h6-7,13-14,16,18,20H,2-5,8-12,15H2,1H3,(H,30,31)