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

Systemtic Name: ethyl (4S)-6-[3-(2-ethoxyphenyl)propanoyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[3-(2-ethoxyphenyl)propanoyloxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[3-(2-ethoxyphenyl)-1-oxopropoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[3-(2-ethoxyphenyl)propanoyloxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-(3-o-phenetylpropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CCC2=CC=CC=C2OCC)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)CCC2=CC=CC=C2OCC)C(=O)OCC

InChI

InChI=1S/C21H28N2O6/c1-4-15-19(20(25)28-6-3)16(23-21(26)22-15)13-29-18(24)12-11-14-9-7-8-10-17(14)27-5-2/h7-10,15H,4-6,11-13H2,1-3H3,(H2,22,23,26)/t15-/m0/s1