(4-methylphenyl) 1,3-bis(oxidanylidene)-2-(4-pentoxycarbonylphenyl)isoindole-5-carboxylate

Systemtic Name: (4-methylphenyl) 1,3-bis(oxidanylidene)-2-(4-pentoxycarbonylphenyl)isoindole-5-carboxylate Openeye Name: p-tolyl 1,3-dioxo-2-(4-pentoxycarbonylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-[oxo(pentoxy)methyl]phenyl]-5-isoindolecarboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 1,3-dioxo-2-(4-pentoxycarbonylphenyl)isoindole-5-carboxylate Traditional Name: 2-(4-amoxycarbonylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid p-tolyl ester Formula: C28H25NO6 MolecularWeight: 471.5012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC4=CC=C(C=C4)C

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC4=CC=C(C=C4)C

InChI

InChI=1S/C28H25NO6/c1-3-4-5-16-34-27(32)19-8-11-21(12-9-19)29-25(30)23-15-10-20(17-24(23)26(29)31)28(33)35-22-13-6-18(2)7-14-22/h6-15,17H,3-5,16H2,1-2H3