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

Systemtic Name: methyl 3-cyano-2-[(E)-C-methyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbonimidoyl]-4-oxidanylidene-3-phenyl-pentanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5/c1-13(22-23-18(26)28-19(3,4)5)16(17(25)27-6)20(12-21,14(2)24)15-10-8-7-9-11-15/h7-11,16H,1-6H3,(H,23,26)/b22-13+