2-cyanoethyl (4R)-6-methyl-2-oxidanylidene-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-cyanoethyl (4R)-6-methyl-2-oxidanylidene-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-cyanoethyl (4R)-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (4R)-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-6-methyl-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-cyanoethyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCCC#N

Isomeric SMILES

CC1=C([C@H](NC(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCCC#N

InChI

InChI=1S/C21H19N3O4/c1-14-18(20(25)27-12-6-11-22)19(24-21(26)23-14)15-7-5-10-17(13-15)28-16-8-3-2-4-9-16/h2-5,7-10,13,19H,6,12H2,1H3,(H2,23,24,26)/t19-/m1/s1