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

Systemtic Name: octyl 2-(3-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: octyl 2-(m-tolyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid octyl ester IUPAC Name: octyl 2-(3-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(m-tolyl)isoindoline-5-carboxylic acid octyl ester Formula: C24H27NO4 MolecularWeight: 393.47548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO4/c1-3-4-5-6-7-8-14-29-24(28)18-12-13-20-21(16-18)23(27)25(22(20)26)19-11-9-10-17(2)15-19/h9-13,15-16H,3-8,14H2,1-2H3