phenethyl 3,4-dimethyl-2-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: phenethyl 3,4-dimethyl-2-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: phenethyl 3,4-dimethyl-2-oxo-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-2-oxo-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 3,4-dimethyl-2-oxo-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3,4-dimethyl-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester Formula: C22H21F3N2O3 MolecularWeight: 418.40895

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)C(F)(F)F)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)C(F)(F)F)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H21F3N2O3/c1-14-18(20(28)30-13-12-15-6-4-3-5-7-15)19(26-21(29)27(14)2)16-8-10-17(11-9-16)22(23,24)25/h3-11,19H,12-13H2,1-2H3,(H,26,29)