2,2,2-tris(chloranyl)ethyl 6-methyl-2-oxidanylidene-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 6-methyl-2-oxidanylidene-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2,2,2-trichloroethyl 4-(2-benzyloxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-oxo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 6-methyl-2-oxo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-benzoxyphenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2,2,2-trichloroethyl ester Formula: C21H19Cl3N2O4 MolecularWeight: 469.74556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C21H19Cl3N2O4/c1-13-17(19(27)30-12-21(22,23)24)18(26-20(28)25-13)15-9-5-6-10-16(15)29-11-14-7-3-2-4-8-14/h2-10,18H,11-12H2,1H3,(H2,25,26,28)