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

Systemtic Name: ethyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]octanoate Openeye Name: ethyl 3-(1,3-dioxoisoindolin-2-yl)octanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)octanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-dioxoisoindol-2-yl)octanoate Traditional Name: 3-phthalimidocaprylic acid ethyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)OCC)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCCC(CC(=O)OCC)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C18H23NO4/c1-3-5-6-9-13(12-16(20)23-4-2)19-17(21)14-10-7-8-11-15(14)18(19)22/h7-8,10-11,13H,3-6,9,12H2,1-2H3