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

Systemtic Name: pentyl 2-(4-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: pentyl 1,3-dioxo-2-(p-tolyl)isoindoline-5-carboxylate CAS Name: 2-(4-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid pentyl ester IUPAC Name: pentyl 2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(p-tolyl)isoindoline-5-carboxylic acid amyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21NO4/c1-3-4-5-12-26-21(25)15-8-11-17-18(13-15)20(24)22(19(17)23)16-9-6-14(2)7-10-16/h6-11,13H,3-5,12H2,1-2H3