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

Systemtic Name: ethyl (4S)-6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[3-(3,4-dimethoxyphenyl)-1-oxopropoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CCC2=CC(=C(C=C2)OC)OC)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)CCC2=CC(=C(C=C2)OC)OC)C(=O)OCC

InChI

InChI=1S/C21H28N2O7/c1-5-14-19(20(25)29-6-2)15(23-21(26)22-14)12-30-18(24)10-8-13-7-9-16(27-3)17(11-13)28-4/h7,9,11,14H,5-6,8,10,12H2,1-4H3,(H2,22,23,26)/t14-/m0/s1