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

Systemtic Name: (phenylmethyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]octanoate Openeye Name: benzyl 3-(1,3-dioxoisoindolin-2-yl)octanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)octanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1,3-dioxoisoindol-2-yl)octanoate Traditional Name: 3-phthalimidocaprylic acid benzyl ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)OCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCC(CC(=O)OCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C23H25NO4/c1-2-3-5-12-18(15-21(25)28-16-17-10-6-4-7-11-17)24-22(26)19-13-8-9-14-20(19)23(24)27/h4,6-11,13-14,18H,2-3,5,12,15-16H2,1H3