diethyl 2-cyano-3-[(E)-C-methyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbonimidoyl]-2-phenyl-butanedioate

Systemtic Name: diethyl 2-cyano-3-[(E)-C-methyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbonimidoyl]-2-phenyl-butanedioate Openeye Name: diethyl 3-[(E)-N-(tert-butoxycarbonylamino)-C-methyl-carbonimidoyl]-2-cyano-2-phenyl-butanedioate CAS Name: 2-cyano-3-[(1E)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazinylidene]ethyl]-2-phenylbutanedioic acid diethyl ester IUPAC Name: diethyl 2-cyano-3-[(E)-C-methyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbonimidoyl]-2-phenylbutanedioate Traditional Name: 3-[(E)-N-(tert-butoxycarbonylamino)-C-methyl-carbonimidoyl]-2-cyano-2-phenyl-succinic acid diethyl ester Formula: C22H29N3O6 MolecularWeight: 431.48216

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6/c1-7-29-18(26)17(15(3)24-25-20(28)31-21(4,5)6)22(14-23,19(27)30-8-2)16-12-10-9-11-13-16/h9-13,17H,7-8H2,1-6H3,(H,25,28)/b24-15+