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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate Traditional Name: 3-methyl-2-phthalimido-butyric acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5/c1-14(2)18(23-19(25)15-9-5-6-10-16(15)20(23)26)21(27)28-13-17(24)22-11-7-3-4-8-12-22/h5-6,9-10,14,18H,3-4,7-8,11-13H2,1-2H3