ethyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2-(trifluoromethyl)quinoline-6-carboxylate

Systemtic Name: ethyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2-(trifluoromethyl)quinoline-6-carboxylate Openeye Name: ethyl 4-(4-ethoxycarbonyl-1-piperidyl)-2-(trifluoromethyl)quinoline-6-carboxylate CAS Name: 4-(4-ethoxycarbonyl-1-piperidinyl)-2-(trifluoromethyl)-6-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2-(trifluoromethyl)quinoline-6-carboxylate Traditional Name: 4-(4-carbethoxypiperidino)-2-(trifluoromethyl)quinoline-6-carboxylic acid ethyl ester Formula: C21H23F3N2O4 MolecularWeight: 424.41353

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC(=NC3=C2C=C(C=C3)C(=O)OCC)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC(=NC3=C2C=C(C=C3)C(=O)OCC)C(F)(F)F

InChI

InChI=1S/C21H23F3N2O4/c1-3-29-19(27)13-7-9-26(10-8-13)17-12-18(21(22,23)24)25-16-6-5-14(11-15(16)17)20(28)30-4-2/h5-6,11-13H,3-4,7-10H2,1-2H3