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

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanylidene-propyl]-1-(3-thiophen-3-ylprop-2-ynyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-oxo-propyl]-1-[3-(3-thienyl)prop-2-ynyl]piperidine-3-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-oxopropyl]-1-[3-(3-thiophenyl)prop-2-ynyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-oxopropyl]-1-(3-thiophen-3-ylprop-2-ynyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-keto-propyl]-1-[3-(3-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=CSC=C4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(=O)CCC3CCN(CC3C(=O)O)CC#CC4=CSC=C4

InChI

InChI=1S/C26H25ClN2O4S/c1-33-19-5-6-23-20(13-19)25(22(27)14-28-23)24(30)7-4-18-8-11-29(15-21(18)26(31)32)10-2-3-17-9-12-34-16-17/h5-6,9,12-14,16,18,21H,4,7-8,10-11,15H2,1H3,(H,31,32)