ethyl 4-(4-chlorophenyl)-6-(3,3-dimethylbutanoyloxymethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-(3,3-dimethylbutanoyloxymethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-6-(3,3-dimethylbutanoyloxymethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-6-[(3,3-dimethyl-1-oxobutoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-6-(3,3-dimethylbutanoyloxymethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-6-(3,3-dimethylbutanoyloxymethyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25ClN2O5 MolecularWeight: 408.8759

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)COC(=O)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)COC(=O)CC(C)(C)C

InChI

InChI=1S/C20H25ClN2O5/c1-5-27-18(25)16-14(11-28-15(24)10-20(2,3)4)22-19(26)23-17(16)12-6-8-13(21)9-7-12/h6-9,17H,5,10-11H2,1-4H3,(H2,22,23,26)