methyl (2S,3R)-3-[(4-fluorophenyl)amino]-2-oxidanyl-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: methyl (2S,3R)-3-[(4-fluorophenyl)amino]-2-oxidanyl-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: methyl (2S,3R)-3-(4-benzyloxyphenyl)-3-(4-fluoroanilino)-2-hydroxy-propanoate CAS Name: (2S,3R)-3-(4-fluoroanilino)-2-hydroxy-3-(4-phenylmethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-(4-fluoroanilino)-2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S,3R)-3-(4-benzoxyphenyl)-3-(4-fluoroanilino)-2-hydroxy-propionic acid methyl ester Formula: C23H22FNO4 MolecularWeight: 395.423483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC=C(C=C1)OCC2=CC=CC=C2)NC3=CC=C(C=C3)F)O

Isomeric SMILES

COC(=O)[C@H]([C@@H](C1=CC=C(C=C1)OCC2=CC=CC=C2)NC3=CC=C(C=C3)F)O

InChI

InChI=1S/C23H22FNO4/c1-28-23(27)22(26)21(25-19-11-9-18(24)10-12-19)17-7-13-20(14-8-17)29-15-16-5-3-2-4-6-16/h2-14,21-22,25-26H,15H2,1H3/t21-,22+/m1/s1