ethyl (4S)-4-(4-methoxyphenyl)-2-oxidanylidene-6-(propanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(4-methoxyphenyl)-2-oxidanylidene-6-(propanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-methoxyphenyl)-2-oxo-6-(propanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-methoxyphenyl)-2-oxo-6-(1-oxopropoxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-methoxyphenyl)-2-oxo-6-(propanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-(4-methoxyphenyl)-6-(propionyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OC)C(=O)OCC

Isomeric SMILES

CCC(=O)OCC1=C([C@@H](NC(=O)N1)C2=CC=C(C=C2)OC)C(=O)OCC

InChI

InChI=1S/C18H22N2O6/c1-4-14(21)26-10-13-15(17(22)25-5-2)16(20-18(23)19-13)11-6-8-12(24-3)9-7-11/h6-9,16H,4-5,10H2,1-3H3,(H2,19,20,23)/t16-/m0/s1