dimethyl 2-(5-ethoxycarbonyl-6-oxidanylidene-1H-pyrimidin-2-yl)-1-(phenylmethyl)pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-(5-ethoxycarbonyl-6-oxidanylidene-1H-pyrimidin-2-yl)-1-(phenylmethyl)pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 1-benzyl-2-(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)pyrrole-3,4-dicarboxylate CAS Name: 2-(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)-1-(phenylmethyl)pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-benzyl-2-(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)pyrrole-3,4-dicarboxylate Traditional Name: 1-benzyl-2-(5-carbethoxy-6-keto-1H-pyrimidin-2-yl)pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(NC1=O)C2=C(C(=CN2CC3=CC=CC=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(NC1=O)C2=C(C(=CN2CC3=CC=CC=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H21N3O7/c1-4-32-21(28)14-10-23-18(24-19(14)26)17-16(22(29)31-3)15(20(27)30-2)12-25(17)11-13-8-6-5-7-9-13/h5-10,12H,4,11H2,1-3H3,(H,23,24,26)