[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(5-methyl-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 2-(5-methyl-1,3-dioxo-2-isoindolyl)propanoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2-(1,3-diketo-5-methyl-isoindolin-2-yl)propionic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)C(C)C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)C(C)C(=O)OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O5/c1-13-8-9-16-17(12-13)20(26)23(19(16)25)14(2)21(27)28-15(3)18(24)22-10-6-4-5-7-11-22/h8-9,12,14-15H,4-7,10-11H2,1-3H3