(5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: (5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: (5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylate CAS Name: 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid (5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester IUPAC Name: (5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylic acid (5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester Formula: C21H22ClN3O6 MolecularWeight: 447.86888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C)C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)COC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C)C(=O)OCC

InChI

InChI=1S/C21H22ClN3O6/c1-4-14-17(20(27)29-5-2)15(24-21(28)23-14)10-30-19(26)16-11(3)31-25-18(16)12-8-6-7-9-13(12)22/h6-9,14H,4-5,10H2,1-3H3,(H2,23,24,28)