ethyl (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-3-allyl-6-[4-(cyanomethoxy)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-allyl-6-[4-(cyanomethoxy)phenyl]-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)OCC#N)CC=C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N[C@@H]1C2=CC=C(C=C2)OCC#N)CC=C)C

InChI

InChI=1S/C19H21N3O4/c1-4-11-22-13(3)16(18(23)25-5-2)17(21-19(22)24)14-6-8-15(9-7-14)26-12-10-20/h4,6-9,17H,1,5,11-12H2,2-3H3,(H,21,24)/t17-/m1/s1