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

Systemtic Name: ethyl (4S)-4-[4-(cyanomethoxy)-3-methoxy-phenyl]-2-oxidanylidene-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-[4-(cyanomethoxy)-3-methoxy-phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[4-(cyanomethoxy)-3-methoxyphenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-[4-(cyanomethoxy)-3-methoxyphenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[4-(cyanomethoxy)-3-methoxy-phenyl]-2-keto-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC(=C(C=C2)OCC#N)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5/c1-3-29-21(26)18-19(14-7-5-4-6-8-14)24-22(27)25-20(18)15-9-10-16(30-12-11-23)17(13-15)28-2/h4-10,13,20H,3,12H2,1-2H3,(H2,24,25,27)/t20-/m0/s1