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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2-phthalimidopropionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCCCCC1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)OCC(=O)N1CCCCCC1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H22N2O5/c1-13(21-17(23)14-8-4-5-9-15(14)18(21)24)19(25)26-12-16(22)20-10-6-2-3-7-11-20/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3