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

Systemtic Name: octyl 2-(3-ethanoylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: octyl 2-(3-acetylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-acetylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid octyl ester IUPAC Name: octyl 2-(3-acetylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3-acetylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid octyl ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO5/c1-3-4-5-6-7-8-14-31-25(30)19-12-13-21-22(16-19)24(29)26(23(21)28)20-11-9-10-18(15-20)17(2)27/h9-13,15-16H,3-8,14H2,1-2H3