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

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanylidene-propyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-oxo-propyl]-1-[3-(2-thienyl)prop-2-ynyl]piperidine-3-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-oxopropyl]-1-(3-thiophen-2-ylprop-2-ynyl)-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-oxopropyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-keto-propyl]-1-[3-(2-thienyl)prop-2-ynyl]nipecotic acid Formula: C26H25ClN2O4S MolecularWeight: 497.0057

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(=O)CCC3CCN(CC3C(=O)O)CC#CC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(=O)CCC3CCN(CC3C(=O)O)CC#CC4=CC=CS4

InChI

InChI=1S/C26H25ClN2O4S/c1-33-18-7-8-23-20(14-18)25(22(27)15-28-23)24(30)9-6-17-10-12-29(16-21(17)26(31)32)11-2-4-19-5-3-13-34-19/h3,5,7-8,13-15,17,21H,6,9-12,16H2,1H3,(H,31,32)