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

Systemtic Name: phenacyl 1,3-bis(oxidanylidene)-2-(4-propoxycarbonylphenyl)isoindole-5-carboxylate Openeye Name: phenacyl 1,3-dioxo-2-(4-propoxycarbonylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-[oxo(propoxy)methyl]phenyl]-5-isoindolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 1,3-dioxo-2-(4-propoxycarbonylphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-propoxycarbonylphenyl)isoindoline-5-carboxylic acid phenacyl ester Formula: C27H21NO7 MolecularWeight: 471.45814

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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)C4=CC=CC=C4

Isomeric SMILES

CCCOC(=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/C27H21NO7/c1-2-14-34-26(32)18-8-11-20(12-9-18)28-24(30)21-13-10-19(15-22(21)25(28)31)27(33)35-16-23(29)17-6-4-3-5-7-17/h3-13,15H,2,14,16H2,1H3