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

Systemtic Name: diethyl 2-[[5-azanyl-2-bromanyl-1-(phenylmethyl)imidazol-4-yl]carbonylamino]propanedioate Openeye Name: diethyl 2-[(5-amino-1-benzyl-2-bromo-imidazole-4-carbonyl)amino]propanedioate CAS Name: 2-[[[5-amino-2-bromo-1-(phenylmethyl)-4-imidazolyl]-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(5-amino-1-benzyl-2-bromoimidazole-4-carbonyl)amino]propanedioate Traditional Name: 2-[(5-amino-1-benzyl-2-bromo-imidazole-4-carbonyl)amino]malonic acid diethyl ester Formula: C18H21BrN4O5 MolecularWeight: 453.28714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN4O5/c1-3-27-16(25)13(17(26)28-4-2)21-15(24)12-14(20)23(18(19)22-12)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10,20H2,1-2H3,(H,21,24)