ethyl 5-cyano-6-methyl-2-oxidanylidene-4-(phenethyloxymethyl)-1,4-dihydropyrimidine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-methyl-2-oxidanylidene-4-(phenethyloxymethyl)-1,4-dihydropyrimidine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-2-oxo-4-(phenethyloxymethyl)-1,4-dihydropyrimidine-3-carboxylate CAS Name: 5-cyano-6-methyl-2-oxo-4-(phenethyloxymethyl)-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-2-oxo-4-(phenethyloxymethyl)-1,4-dihydropyrimidine-3-carboxylate Traditional Name: 5-cyano-2-keto-6-methyl-4-(phenethyloxymethyl)-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)COCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)COCCC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O4/c1-3-25-18(23)21-16(15(11-19)13(2)20-17(21)22)12-24-10-9-14-7-5-4-6-8-14/h4-8,16H,3,9-10,12H2,1-2H3,(H,20,22)