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

Systemtic Name: phenethyl 3,4-dimethyl-2-oxidanylidene-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: phenethyl 3,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 3,4-dimethyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3,4-dimethyl-6-[3-(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(=CC=C2)C(F)(F)F)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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