diethyl 2-[[5-(phenylmethoxycarbonylamino)pyrimidin-2-yl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[5-(phenylmethoxycarbonylamino)pyrimidin-2-yl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[5-(benzyloxycarbonylamino)pyrimidine-2-carbonyl]amino]pentanedioate CAS Name: 2-[[oxo-[5-(phenylmethoxycarbonylamino)-2-pyrimidinyl]methyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[5-(phenylmethoxycarbonylamino)pyrimidine-2-carbonyl]amino]pentanedioate Traditional Name: 2-[[5-(benzyloxycarbonylamino)pyrimidine-2-carbonyl]amino]glutaric acid diethyl ester Formula: C22H26N4O7 MolecularWeight: 458.46444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=NC=C(C=N1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=NC=C(C=N1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N4O7/c1-3-31-18(27)11-10-17(21(29)32-4-2)26-20(28)19-23-12-16(13-24-19)25-22(30)33-14-15-8-6-5-7-9-15/h5-9,12-13,17H,3-4,10-11,14H2,1-2H3,(H,25,30)(H,26,28)