O1-ethyl O4-methyl 2-cyano-3-[(E)-C-methyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbonimidoyl]-2-phenyl-butanedioate

Systemtic Name: O1-ethyl O4-methyl 2-cyano-3-[(E)-C-methyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbonimidoyl]-2-phenyl-butanedioate Openeye Name: O1-ethyl O4-methyl 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 O1-ethyl ester O4-methyl ester IUPAC Name: 1-O-ethyl 4-O-methyl 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 O1-ethyl ester O4-methyl ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6/c1-7-29-18(26)21(13-22,15-11-9-8-10-12-15)16(17(25)28-6)14(2)23-24-19(27)30-20(3,4)5/h8-12,16H,7H2,1-6H3,(H,24,27)/b23-14+