diethyl 2-[[5-azanyl-1-(phenylmethyl)imidazol-4-yl]carbonylamino]propanedioate

Systemtic Name: diethyl 2-[[5-azanyl-1-(phenylmethyl)imidazol-4-yl]carbonylamino]propanedioate Openeye Name: diethyl 2-[(5-amino-1-benzyl-imidazole-4-carbonyl)amino]propanedioate CAS Name: 2-[[[5-amino-1-(phenylmethyl)-4-imidazolyl]-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(5-amino-1-benzylimidazole-4-carbonyl)amino]propanedioate Traditional Name: 2-[(5-amino-1-benzyl-imidazole-4-carbonyl)amino]malonic acid diethyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)N

InChI

InChI=1S/C18H22N4O5/c1-3-26-17(24)14(18(25)27-4-2)21-16(23)13-15(19)22(11-20-13)10-12-8-6-5-7-9-12/h5-9,11,14H,3-4,10,19H2,1-2H3,(H,21,23)