methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-6-(trifluoromethyl)quinoline-2-carboxylate

Systemtic Name: methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-6-(trifluoromethyl)quinoline-2-carboxylate Openeye Name: methyl 4-(4-tert-butoxycarbonylpiperazin-1-yl)-6-(trifluoromethyl)quinoline-2-carboxylate CAS Name: 4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-6-(trifluoromethyl)-2-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-6-(trifluoromethyl)quinoline-2-carboxylate Traditional Name: 4-(4-tert-butoxycarbonylpiperazino)-6-(trifluoromethyl)quinaldic acid methyl ester Formula: C21H24F3N3O4 MolecularWeight: 439.42817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=C(C=C3)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=C(C=C3)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C21H24F3N3O4/c1-20(2,3)31-19(29)27-9-7-26(8-10-27)17-12-16(18(28)30-4)25-15-6-5-13(11-14(15)17)21(22,23)24/h5-6,11-12H,7-10H2,1-4H3