heptyl 6-methyl-2-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: heptyl 6-methyl-2-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: heptyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid heptyl ester IUPAC Name: heptyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid heptyl ester Formula: C20H25F3N2O4 MolecularWeight: 414.41871

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC(F)(F)F)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC(F)(F)F)C

InChI

InChI=1S/C20H25F3N2O4/c1-3-4-5-6-7-12-28-18(26)16-13(2)24-19(27)25-17(16)14-8-10-15(11-9-14)29-20(21,22)23/h8-11,17H,3-7,12H2,1-2H3,(H2,24,25,27)