ethyl 6-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoyloxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoyloxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[4-(1,3-dioxoisoindolin-2-yl)butanoyloxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutoxy]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(1,3-dioxoisoindol-2-yl)butanoyloxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-phenyl-6-(4-phthalimidobutanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H25N3O7 MolecularWeight: 491.4926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H25N3O7/c1-2-35-25(33)21-19(27-26(34)28-22(21)16-9-4-3-5-10-16)15-36-20(30)13-8-14-29-23(31)17-11-6-7-12-18(17)24(29)32/h3-7,9-12,22H,2,8,13-15H2,1H3,(H2,27,28,34)