methyl (2S)-3-[4-(2-cyclohexylethoxy)-3-iodanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[4-(2-cyclohexylethoxy)-3-iodanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[4-(2-cyclohexylethoxy)-3-iodo-phenyl]propanoate CAS Name: (2S)-3-[4-(2-cyclohexylethoxy)-3-iodophenyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[4-(2-cyclohexylethoxy)-3-iodophenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-(2-cyclohexylethoxy)-3-iodo-phenyl]propionic acid methyl ester Formula: C26H32INO5 MolecularWeight: 565.44045

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C=C1)OCCC2CCCCC2)I)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=C(C=C1)OCCC2CCCCC2)I)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H32INO5/c1-31-25(29)23(28-26(30)33-18-20-10-6-3-7-11-20)17-21-12-13-24(22(27)16-21)32-15-14-19-8-4-2-5-9-19/h3,6-7,10-13,16,19,23H,2,4-5,8-9,14-15,17-18H2,1H3,(H,28,30)/t23-/m0/s1