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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=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

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