(3,3-dimethyl-2-oxidanylidene-butyl) 1,3-bis(oxidanylidene)-2-(4-propoxycarbonylphenyl)isoindole-5-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1,3-bis(oxidanylidene)-2-(4-propoxycarbonylphenyl)isoindole-5-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1,3-dioxo-2-(4-propoxycarbonylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-[oxo(propoxy)methyl]phenyl]-5-isoindolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1,3-dioxo-2-(4-propoxycarbonylphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-propoxycarbonylphenyl)isoindoline-5-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H25NO7 MolecularWeight: 451.4685

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C25H25NO7/c1-5-12-32-23(30)15-6-9-17(10-7-15)26-21(28)18-11-8-16(13-19(18)22(26)29)24(31)33-14-20(27)25(2,3)4/h6-11,13H,5,12,14H2,1-4H3