1H-imidazole; (phenylmethyl) 3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: 1H-imidazole; (phenylmethyl) 3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: benzyl 2-(tert-butoxycarbonylamino)-3-(1H-imidazol-5-yl)propanoate; imidazole CAS Name: 1H-imidazole; 3-(1H-imidazol-5-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate; 1H-imidazole Traditional Name: 2-(tert-butoxycarbonylamino)-3-(1H-imidazol-5-yl)propionic acid benzyl ester; glyoxaline Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)OCC2=CC=CC=C2.C1=CN=CN1

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)OCC2=CC=CC=C2.C1=CN=CN1

InChI

InChI=1S/C18H23N3O4.C3H4N2/c1-18(2,3)25-17(23)21-15(9-14-10-19-12-20-14)16(22)24-11-13-7-5-4-6-8-13;1-2-5-3-4-1/h4-8,10,12,15H,9,11H2,1-3H3,(H,19,20)(H,21,23);1-3H,(H,4,5)