[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] octanoate

Systemtic Name: [4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] octanoate Openeye Name: [4-(1,3-dioxoisoindolin-2-yl)phenyl] octanoate CAS Name: octanoic acid [4-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [4-(1,3-dioxoisoindol-2-yl)phenyl] octanoate Traditional Name: caprylic acid (4-phthalimidophenyl) ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23NO4/c1-2-3-4-5-6-11-20(24)27-17-14-12-16(13-15-17)23-21(25)18-9-7-8-10-19(18)22(23)26/h7-10,12-15H,2-6,11H2,1H3