(5-ethoxycarbonyl-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (5-ethoxycarbonyl-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid (5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester IUPAC Name: (5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid (5-carbethoxy-2-keto-4-methyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=C(C(NC(=O)N3)C)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=C(C(NC(=O)N3)C)C(=O)OCC

InChI

InChI=1S/C22H25N3O7/c1-4-6-9-25-18(26)14-8-7-13(10-15(14)19(25)27)20(28)32-11-16-17(21(29)31-5-2)12(3)23-22(30)24-16/h7-8,10,12H,4-6,9,11H2,1-3H3,(H2,23,24,30)