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

Systemtic Name: phenacyl 2-(4-octoxycarbonylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: phenacyl 2-(4-octoxycarbonylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[4-[octoxy(oxo)methyl]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(4-octoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-octoxycarbonylphenyl)isoindoline-5-carboxylic acid phenacyl ester Formula: C32H31NO7 MolecularWeight: 541.59104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=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

CCCCCCCCOC(=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/C32H31NO7/c1-2-3-4-5-6-10-19-39-31(37)23-13-16-25(17-14-23)33-29(35)26-18-15-24(20-27(26)30(33)36)32(38)40-21-28(34)22-11-8-7-9-12-22/h7-9,11-18,20H,2-6,10,19,21H2,1H3