ethyl 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H23F3N4O4 MolecularWeight: 440.41623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H23F3N4O4/c1-4-31-19(28)27-9-7-26(8-10-27)18-24-14(12-17(25-18)20(21,22)23)13-5-6-15(29-2)16(11-13)30-3/h5-6,11-12H,4,7-10H2,1-3H3