2-oxidanylidenepropyl 4-[5-(3,4-dimethylphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: 2-oxidanylidenepropyl 4-[5-(3,4-dimethylphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: acetonyl 4-[5-(3,4-dimethylphenoxy)-1,3-dioxo-isoindolin-2-yl]benzoate CAS Name: 4-[5-(3,4-dimethylphenoxy)-1,3-dioxo-2-isoindolyl]benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 4-[5-(3,4-dimethylphenoxy)-1,3-dioxoisoindol-2-yl]benzoate Traditional Name: 4-[5-(3,4-dimethylphenoxy)-1,3-diketo-isoindolin-2-yl]benzoic acid acetonyl ester Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC(=O)C)C

InChI

InChI=1S/C26H21NO6/c1-15-4-9-20(12-16(15)2)33-21-10-11-22-23(13-21)25(30)27(24(22)29)19-7-5-18(6-8-19)26(31)32-14-17(3)28/h4-13H,14H2,1-3H3