(phenylmethyl) (3R)-4-(5-cyano-2-iodanyl-phenoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (phenylmethyl) (3R)-4-(5-cyano-2-iodanyl-phenoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: benzyl (3R)-3-(tert-butoxycarbonylamino)-4-(5-cyano-2-iodo-phenoxy)butanoate CAS Name: (3R)-4-(5-cyano-2-iodophenoxy)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-4-(5-cyano-2-iodophenoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (3R)-3-(tert-butoxycarbonylamino)-4-(5-cyano-2-iodo-phenoxy)butyric acid benzyl ester Formula: C23H25IN2O5 MolecularWeight: 536.35947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)COC2=C(C=CC(=C2)C#N)I

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC(=O)OCC1=CC=CC=C1)COC2=C(C=CC(=C2)C#N)I

InChI

InChI=1S/C23H25IN2O5/c1-23(2,3)31-22(28)26-18(12-21(27)30-14-16-7-5-4-6-8-16)15-29-20-11-17(13-25)9-10-19(20)24/h4-11,18H,12,14-15H2,1-3H3,(H,26,28)/t18-/m1/s1