diethyl 2-[(2-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate

Systemtic Name: diethyl 2-[(2-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate Openeye Name: diethyl 2-(tert-butoxycarbonylamino)-2-[(2-cyanophenyl)methyl]propanedioate CAS Name: 2-[(2-cyanophenyl)methyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate Traditional Name: 2-(tert-butoxycarbonylamino)-2-(2-cyanobenzyl)malonic acid diethyl ester Formula: C20H26N2O6 MolecularWeight: 390.43024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1C#N)(C(=O)OCC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1C#N)(C(=O)OCC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H26N2O6/c1-6-26-16(23)20(17(24)27-7-2,22-18(25)28-19(3,4)5)12-14-10-8-9-11-15(14)13-21/h8-11H,6-7,12H2,1-5H3,(H,22,25)