ethyl (4S)-4-ethyl-2-oxidanylidene-6-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-2-oxo-6-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-[[1-oxo-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-2-oxo-6-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[[2-[[(E)-3-phenylacryloyl]amino]acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CNC(=O)C=CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6/c1-3-15-19(20(27)29-4-2)16(24-21(28)23-15)13-30-18(26)12-22-17(25)11-10-14-8-6-5-7-9-14/h5-11,15H,3-4,12-13H2,1-2H3,(H,22,25)(H2,23,24,28)/b11-10+/t15-/m0/s1