ethyl (4S)-6-[[4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoyl]oxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoyl]oxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[4-(3,4-dimethylphenyl)-4-oxo-butanoyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[4-(3,4-dimethylphenyl)-1,4-dioxobutoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[4-(3,4-dimethylphenyl)-4-keto-butanoyl]oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CCC(=O)C2=CC(=C(C=C2)C)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)CCC(=O)C2=CC(=C(C=C2)C)C)C(=O)OCC

InChI

InChI=1S/C22H28N2O6/c1-5-16-20(21(27)29-6-2)17(24-22(28)23-16)12-30-19(26)10-9-18(25)15-8-7-13(3)14(4)11-15/h7-8,11,16H,5-6,9-10,12H2,1-4H3,(H2,23,24,28)/t16-/m0/s1