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

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-1-(3-thiophen-3-ylprop-2-ynyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-1-[3-(3-thienyl)prop-2-ynyl]piperidine-4-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-hydroxypropyl]-1-[3-(3-thiophenyl)prop-2-ynyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-(3-thiophen-3-ylprop-2-ynyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-1-[3-(3-thienyl)prop-2-ynyl]isonipecotic acid Formula: C26H27ClN2O4S MolecularWeight: 499.02158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3(CCN(CC3)CC#CC4=CSC=C4)C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3(CCN(CC3)CC#CC4=CSC=C4)C(=O)O)O

InChI

InChI=1S/C26H27ClN2O4S/c1-33-19-4-5-22-20(15-19)24(21(27)16-28-22)23(30)6-8-26(25(31)32)9-12-29(13-10-26)11-2-3-18-7-14-34-17-18/h4-5,7,14-17,23,30H,6,8-13H2,1H3,(H,31,32)