ethyl 4-(4-chlorophenyl)-6-[(4-cyano-2-methoxy-phenoxy)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-[(4-cyano-2-methoxy-phenoxy)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-6-[(4-cyano-2-methoxy-phenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-6-[(4-cyano-2-methoxyphenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-6-[(4-cyano-2-methoxyphenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-6-[(4-cyano-2-methoxy-phenoxy)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H20ClN3O5 MolecularWeight: 441.8643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)COC3=C(C=C(C=C3)C#N)OC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)COC3=C(C=C(C=C3)C#N)OC

InChI

InChI=1S/C22H20ClN3O5/c1-3-30-21(27)19-16(12-31-17-9-4-13(11-24)10-18(17)29-2)25-22(28)26-20(19)14-5-7-15(23)8-6-14/h4-10,20H,3,12H2,1-2H3,(H2,25,26,28)