3-(1H-imidazol-5-yl)-2-[2-oxidanylidene-3-(phenylmethyl)imidazolidin-1-yl]propanoate

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[2-oxidanylidene-3-(phenylmethyl)imidazolidin-1-yl]propanoate Openeye Name: 2-(3-benzyl-2-oxo-imidazolidin-1-yl)-3-(1H-imidazol-5-yl)propanoate CAS Name: 3-(1H-imidazol-5-yl)-2-[2-oxo-3-(phenylmethyl)-1-imidazolidinyl]propanoate IUPAC Name: 2-(3-benzyl-2-oxoimidazolidin-1-yl)-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-(3-benzyl-2-keto-imidazolidin-1-yl)-3-(1H-imidazol-5-yl)propionate Formula: C16H17N4O3- MolecularWeight: 313.33118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1CC2=CC=CC=C2)C(CC3=CN=CN3)C(=O)[O-]

Isomeric SMILES

C1CN(C(=O)N1CC2=CC=CC=C2)C(CC3=CN=CN3)C(=O)[O-]

InChI

InChI=1S/C16H18N4O3/c21-15(22)14(8-13-9-17-11-18-13)20-7-6-19(16(20)23)10-12-4-2-1-3-5-12/h1-5,9,11,14H,6-8,10H2,(H,17,18)(H,21,22)/p-1