diethyl 2-[[4-azanyl-2-oxidanylidene-3-(phenylmethyl)-1H-imidazol-5-yl]carbonylamino]propanedioate

Systemtic Name: diethyl 2-[[4-azanyl-2-oxidanylidene-3-(phenylmethyl)-1H-imidazol-5-yl]carbonylamino]propanedioate Openeye Name: diethyl 2-[(4-amino-3-benzyl-2-oxo-1H-imidazole-5-carbonyl)amino]propanedioate CAS Name: 2-[[[4-amino-2-oxo-3-(phenylmethyl)-1H-imidazol-5-yl]-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-amino-3-benzyl-2-oxo-1H-imidazole-5-carbonyl)amino]propanedioate Traditional Name: 2-[(5-amino-1-benzyl-2-keto-4-imidazoline-4-carbonyl)amino]malonic acid diethyl ester Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6/c1-3-27-16(24)13(17(25)28-4-2)20-15(23)12-14(19)22(18(26)21-12)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10,19H2,1-2H3,(H,20,23)(H,21,26)