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

Systemtic Name: 2-cyanoethyl (4R)-4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-cyanoethyl (4R)-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (4R)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-hydroxy-3-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-cyanoethyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5/c1-9-13(15(21)24-7-3-6-17)14(19-16(22)18-9)10-4-5-11(20)12(8-10)23-2/h4-5,8,14,20H,3,7H2,1-2H3,(H2,18,19,22)/t14-/m1/s1