[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)N(CC#N)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)N(CC#N)C1=CC=CC=C1

InChI

InChI=1S/C18H23N3O5/c1-18(2,3)26-17(24)20-11-9-16(23)25-13-15(22)21(12-10-19)14-7-5-4-6-8-14/h4-8H,9,11-13H2,1-3H3,(H,20,24)