[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N3O5/c1-15(27-17(24)11-13-22-19(26)28-20(2,3)4)18(25)23(14-8-12-21)16-9-6-5-7-10-16/h5-7,9-10,15H,8,11,13-14H2,1-4H3,(H,22,26)