diethyl 2-(phenylmethoxycarbonylamino)-2-(pyrimidin-5-ylmethyl)propanedioate

Systemtic Name: diethyl 2-(phenylmethoxycarbonylamino)-2-(pyrimidin-5-ylmethyl)propanedioate Openeye Name: diethyl 2-(benzyloxycarbonylamino)-2-(pyrimidin-5-ylmethyl)propanedioate CAS Name: 2-(phenylmethoxycarbonylamino)-2-(5-pyrimidinylmethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(phenylmethoxycarbonylamino)-2-(pyrimidin-5-ylmethyl)propanedioate Traditional Name: 2-(benzyloxycarbonylamino)-2-(5-pyrimidylmethyl)malonic acid diethyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN=CN=C1)(C(=O)OCC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CC1=CN=CN=C1)(C(=O)OCC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O6/c1-3-27-17(24)20(18(25)28-4-2,10-16-11-21-14-22-12-16)23-19(26)29-13-15-8-6-5-7-9-15/h5-9,11-12,14H,3-4,10,13H2,1-2H3,(H,23,26)