(phenylmethyl) (2R)-3-(6-chloranyl-1H-benzimidazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2R)-3-(6-chloranyl-1H-benzimidazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: benzyl (2R)-2-(tert-butoxycarbonylamino)-3-(6-chloro-1H-benzimidazol-2-yl)propanoate CAS Name: (2R)-3-(6-chloro-1H-benzimidazol-2-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-3-(6-chloro-1H-benzimidazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-(6-chloro-1H-benzimidazol-2-yl)propionic acid benzyl ester Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=NC2=C(N1)C=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=NC2=C(N1)C=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24ClN3O4/c1-22(2,3)30-21(28)26-18(20(27)29-13-14-7-5-4-6-8-14)12-19-24-16-10-9-15(23)11-17(16)25-19/h4-11,18H,12-13H2,1-3H3,(H,24,25)(H,26,28)/t18-/m1/s1