[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxo-ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(trifluoromethyl)-3-quinolinecarboxylic acid [2-[1-cyclohexenyl(cyclopropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 4-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(trifluoromethyl)quinoline-3-carboxylic acid [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-keto-ethyl] ester Formula: C22H21F3N2O3 MolecularWeight: 418.40895

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(C2CC2)C(=O)COC(=O)C3=C(C4=CC=CC=C4N=C3)C(F)(F)F

Isomeric SMILES

C1CCC(=CC1)N(C2CC2)C(=O)COC(=O)C3=C(C4=CC=CC=C4N=C3)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O3/c23-22(24,25)20-16-8-4-5-9-18(16)26-12-17(20)21(29)30-13-19(28)27(15-10-11-15)14-6-2-1-3-7-14/h4-6,8-9,12,15H,1-3,7,10-11,13H2