ethyl 6-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H19F3N2O2 MolecularWeight: 388.38297

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3)C

InChI

InChI=1S/C21H19F3N2O2/c1-3-28-20(27)17-13(2)25-19(14-8-5-4-6-9-14)26-18(17)15-10-7-11-16(12-15)21(22,23)24/h4-12,18H,3H2,1-2H3,(H,25,26)