ethyl (4S)-6-[[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]oxymethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]oxymethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(E)-3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(E)-3-(4-ethoxy-3-methoxy-phenyl)acryloyl]oxymethyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)OCC2=C(C(NC(=O)N2)C)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)OCC2=C([C@@H](NC(=O)N2)C)C(=O)OCC)OC

InChI

InChI=1S/C21H26N2O7/c1-5-28-16-9-7-14(11-17(16)27-4)8-10-18(24)30-12-15-19(20(25)29-6-2)13(3)22-21(26)23-15/h7-11,13H,5-6,12H2,1-4H3,(H2,22,23,26)/b10-8+/t13-/m0/s1