[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (2R)-2-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: (2R)-2-(1,3-dioxo-2-isoindolyl)propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: (2R)-2-phthalimidopropionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1(CCCCC1)C#N)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1(CCCCC1)C#N)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H21N3O5/c1-13(23-17(25)14-7-3-4-8-15(14)18(23)26)19(27)28-11-16(24)22-20(12-21)9-5-2-6-10-20/h3-4,7-8,13H,2,5-6,9-11H2,1H3,(H,22,24)/t13-/m1/s1