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

Systemtic Name: hexyl 2-(3-ethanoylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: hexyl 2-(3-acetylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-acetylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid hexyl ester IUPAC Name: hexyl 2-(3-acetylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3-acetylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid hexyl ester Formula: C23H23NO5 MolecularWeight: 393.43242

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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(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5/c1-3-4-5-6-12-29-23(28)17-10-11-19-20(14-17)22(27)24(21(19)26)18-9-7-8-16(13-18)15(2)25/h7-11,13-14H,3-6,12H2,1-2H3