(2S)-2-fluoranyl-3-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-3-oxidanylidene-2-(phenylmethyl)propanoic acid

Systemtic Name: (2S)-2-fluoranyl-3-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-3-oxidanylidene-2-(phenylmethyl)propanoic acid Openeye Name: (2S)-2-benzyl-2-fluoro-3-[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexoxy]-3-oxo-propanoic acid CAS Name: (2S)-2-fluoro-3-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-3-oxo-2-(phenylmethyl)propanoic acid IUPAC Name: (2S)-2-benzyl-2-fluoro-3-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-3-oxopropanoic acid Traditional Name: (2S)-2-benzyl-3-[(1R,2S,5R)-2-cumyl-5-methyl-cyclohexoxy]-2-fluoro-3-keto-propionic acid Formula: C26H31FO4 MolecularWeight: 426.520343

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CC2=CC=CC=C2)(C(=O)O)F)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@](CC2=CC=CC=C2)(C(=O)O)F)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C26H31FO4/c1-18-14-15-21(25(2,3)20-12-8-5-9-13-20)22(16-18)31-24(30)26(27,23(28)29)17-19-10-6-4-7-11-19/h4-13,18,21-22H,14-17H2,1-3H3,(H,28,29)/t18-,21-,22-,26+/m1/s1