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

Systemtic Name: hexyl 2-(3-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: hexyl 2-(m-tolyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid hexyl ester IUPAC Name: hexyl 2-(3-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(m-tolyl)isoindoline-5-carboxylic acid hexyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4/c1-3-4-5-6-12-27-22(26)16-10-11-18-19(14-16)21(25)23(20(18)24)17-9-7-8-15(2)13-17/h7-11,13-14H,3-6,12H2,1-2H3