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

Systemtic Name: diethyl 2-acetamido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]-phenyl-methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(tert-butoxycarbonylamino)-phenyl-methyl]propanedioate CAS Name: 2-acetamido-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-phenylmethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]propanedioate Traditional Name: 2-acetamido-2-[(tert-butoxycarbonylamino)-phenyl-methyl]malonic acid diethyl ester Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1)NC(=O)OC(C)(C)C)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C(C1=CC=CC=C1)NC(=O)OC(C)(C)C)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C21H30N2O7/c1-7-28-17(25)21(23-14(3)24,18(26)29-8-2)16(15-12-10-9-11-13-15)22-19(27)30-20(4,5)6/h9-13,16H,7-8H2,1-6H3,(H,22,27)(H,23,24)