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

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanylidene-propyl]-1-(2-cyclopropylsulfanylethyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-oxo-propyl]-1-(2-cyclopropylsulfanylethyl)piperidine-3-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-oxopropyl]-1-[2-(cyclopropylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-oxopropyl]-1-(2-cyclopropylsulfanylethyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-keto-propyl]-1-[2-(cyclopropylthio)ethyl]nipecotic acid Formula: C24H29ClN2O4S MolecularWeight: 477.01606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(=O)CCC3CCN(CC3C(=O)O)CCSC4CC4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(=O)CCC3CCN(CC3C(=O)O)CCSC4CC4

InChI

InChI=1S/C24H29ClN2O4S/c1-31-16-3-6-21-18(12-16)23(20(25)13-26-21)22(28)7-2-15-8-9-27(14-19(15)24(29)30)10-11-32-17-4-5-17/h3,6,12-13,15,17,19H,2,4-5,7-11,14H2,1H3,(H,29,30)