(1-oxidanylidene-1-phenyl-butan-2-yl) 2-(4-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 2-(4-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 1-benzoylpropyl 1,3-dioxo-2-(p-tolyl)isoindoline-5-carboxylate CAS Name: 2-(4-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(p-tolyl)isoindoline-5-carboxylic acid 1-benzoylpropyl ester Formula: C26H21NO5 MolecularWeight: 427.44864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H21NO5/c1-3-22(23(28)17-7-5-4-6-8-17)32-26(31)18-11-14-20-21(15-18)25(30)27(24(20)29)19-12-9-16(2)10-13-19/h4-15,22H,3H2,1-2H3