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

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 2-(3,4-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 1-benzoylpropyl 2-(3,4-dimethylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3,4-dimethylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3,4-dimethylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid 1-benzoylpropyl ester Formula: C27H23NO5 MolecularWeight: 441.47522

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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)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)C

InChI

InChI=1S/C27H23NO5/c1-4-23(24(29)18-8-6-5-7-9-18)33-27(32)19-11-13-21-22(15-19)26(31)28(25(21)30)20-12-10-16(2)17(3)14-20/h5-15,23H,4H2,1-3H3