ethyl 6-[(4-ethylphenyl)carbonyloxymethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(4-ethylphenyl)carbonyloxymethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-ethylbenzoyl)oxymethyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(4-ethylphenyl)-oxomethoxy]methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-ethylbenzoyl)oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(4-ethylbenzoyl)oxymethyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC2=C(C(NC(=O)N2)C3=CC=CO3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC2=C(C(NC(=O)N2)C3=CC=CO3)C(=O)OCC

InChI

InChI=1S/C21H22N2O6/c1-3-13-7-9-14(10-8-13)19(24)29-12-15-17(20(25)27-4-2)18(23-21(26)22-15)16-6-5-11-28-16/h5-11,18H,3-4,12H2,1-2H3,(H2,22,23,26)