ethyl 3-cyano-2-[(E)-C-methyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbonimidoyl]-4-oxidanylidene-3-phenyl-pentanoate

Systemtic Name: ethyl 3-cyano-2-[(E)-C-methyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbonimidoyl]-4-oxidanylidene-3-phenyl-pentanoate Openeye Name: ethyl 2-[(E)-N-(tert-butoxycarbonylamino)-C-methyl-carbonimidoyl]-3-cyano-4-oxo-3-phenyl-pentanoate CAS Name: 3-cyano-2-[(1E)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazinylidene]ethyl]-4-oxo-3-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-[(E)-C-methyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbonimidoyl]-4-oxo-3-phenylpentanoate Traditional Name: 2-[(E)-N-(tert-butoxycarbonylamino)-C-methyl-carbonimidoyl]-3-cyano-4-keto-3-phenyl-valeric acid ethyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=NNC(=O)OC(C)(C)C)C)C(C#N)(C1=CC=CC=C1)C(=O)C

Isomeric SMILES

CCOC(=O)C(/C(=N/NC(=O)OC(C)(C)C)/C)C(C#N)(C1=CC=CC=C1)C(=O)C

InChI

InChI=1S/C21H27N3O5/c1-7-28-18(26)17(14(2)23-24-19(27)29-20(4,5)6)21(13-22,15(3)25)16-11-9-8-10-12-16/h8-12,17H,7H2,1-6H3,(H,24,27)/b23-14+