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

Systemtic Name: pentyl 2-(3-ethanoylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: pentyl 2-(3-acetylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-acetylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid pentyl ester IUPAC Name: pentyl 2-(3-acetylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3-acetylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid amyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5/c1-3-4-5-11-28-22(27)16-9-10-18-19(13-16)21(26)23(20(18)25)17-8-6-7-15(12-17)14(2)24/h6-10,12-13H,3-5,11H2,1-2H3