phenacyl 2-[4-(2-methylpropoxycarbonyl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: phenacyl 2-[4-(2-methylpropoxycarbonyl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: phenacyl 2-(4-isobutoxycarbonylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[4-[2-methylpropoxy(oxo)methyl]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-[4-(2-methylpropoxycarbonyl)phenyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-isobutoxycarbonylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid phenacyl ester Formula: C28H23NO7 MolecularWeight: 485.48472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H23NO7/c1-17(2)15-35-27(33)19-8-11-21(12-9-19)29-25(31)22-13-10-20(14-23(22)26(29)32)28(34)36-16-24(30)18-6-4-3-5-7-18/h3-14,17H,15-16H2,1-2H3