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

Systemtic Name: 2-[3-azanyl-3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-(3-thiophen-3-ylprop-2-ynyl)piperidine-3-carboxylic acid Openeye Name: 2-[3-amino-3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[3-(3-thienyl)prop-2-ynyl]piperidine-3-carboxylic acid CAS Name: 2-[3-amino-3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-1-[3-(3-thiophenyl)prop-2-ynyl]-3-piperidinecarboxylic acid IUPAC Name: 2-[3-amino-3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-(3-thiophen-3-ylprop-2-ynyl)piperidine-3-carboxylic acid Traditional Name: 2-[3-amino-3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[3-(3-thienyl)prop-2-ynyl]nipecotic acid Formula: C26H28FN3O3S MolecularWeight: 481.582223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)C(CCC3C(CCCN3CC#CC4=CSC=C4)C(=O)O)N

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)C(CCC3C(CCCN3CC#CC4=CSC=C4)C(=O)O)N

InChI

InChI=1S/C26H28FN3O3S/c1-33-18-6-8-23-20(14-18)25(21(27)15-29-23)22(28)7-9-24-19(26(31)32)5-3-12-30(24)11-2-4-17-10-13-34-16-17/h6,8,10,13-16,19,22,24H,3,5,7,9,11-12,28H2,1H3,(H,31,32)