[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)NC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)NC1=CC=C(C=C1)C#N

InChI

InChI=1S/C17H21N3O5/c1-17(2,3)25-16(23)19-9-8-15(22)24-11-14(21)20-13-6-4-12(10-18)5-7-13/h4-7H,8-9,11H2,1-3H3,(H,19,23)(H,20,21)