(phenylmethyl) (4R)-4-[3,4-bis(oxidanyl)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) (4R)-4-[3,4-bis(oxidanyl)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl (4R)-4-(3,4-dihydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(3,4-dihydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-4-(3,4-dihydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(3,4-dihydroxyphenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@H](NC(=O)N1)C2=CC(=C(C=C2)O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O5/c1-11-16(18(24)26-10-12-5-3-2-4-6-12)17(21-19(25)20-11)13-7-8-14(22)15(23)9-13/h2-9,17,22-23H,10H2,1H3,(H2,20,21,25)/t17-/m1/s1