[(2R)-1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [(2R)-1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [(1R)-2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] (2R)-2-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: (2R)-2-(1,3-dioxo-2-isoindolyl)propanoic acid [(2R)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: (2R)-2-phthalimidopropionic acid [(1R)-2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C23H21N3O5 MolecularWeight: 419.42994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)N(CCC#N)C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C[C@H](C(=O)O[C@H](C)C(=O)N(CCC#N)C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C23H21N3O5/c1-15(26-21(28)18-11-6-7-12-19(18)22(26)29)23(30)31-16(2)20(27)25(14-8-13-24)17-9-4-3-5-10-17/h3-7,9-12,15-16H,8,14H2,1-2H3/t15-,16-/m1/s1