ethyl 4-[4-(cyanomethoxy)-3-ethoxy-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-(cyanomethoxy)-3-ethoxy-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(cyanomethoxy)-3-ethoxy-phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-(cyanomethoxy)-3-ethoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(cyanomethoxy)-3-ethoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(cyanomethoxy)-3-ethoxy-phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC)OCC#N

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC)OCC#N

InChI

InChI=1S/C18H21N3O5/c1-4-24-14-10-12(6-7-13(14)26-9-8-19)16-15(17(22)25-5-2)11(3)20-18(23)21-16/h6-7,10,16H,4-5,9H2,1-3H3,(H2,20,21,23)