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

Systemtic Name: ethyl 6-[[4-(4-cyanophenyl)phenoxy]methyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(4-cyanophenyl)phenoxy]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-(4-cyanophenyl)phenoxy]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(4-cyanophenyl)phenoxy]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[4-(4-cyanophenyl)phenoxy]methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21N3O4/c1-3-28-21(26)20-14(2)24-22(27)25-19(20)13-29-18-10-8-17(9-11-18)16-6-4-15(12-23)5-7-16/h4-11,14H,3,13H2,1-2H3,(H2,24,25,27)