(2S)-2-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-3-oxidanylidene-2-phenyl-propanoic acid

Systemtic Name: (2S)-2-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-3-oxidanylidene-2-phenyl-propanoic acid Openeye Name: (2S)-3-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-methyl-3-oxo-2-phenyl-propanoic acid CAS Name: (2S)-2-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-oxo-2-phenylpropanoic acid IUPAC Name: (2S)-2-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-oxo-2-phenylpropanoic acid Traditional Name: (2S)-3-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-keto-2-methyl-2-phenyl-propionic acid Formula: C20H28O4 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C)(C2=CC=CC=C2)C(=O)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28O4/c1-13(2)16-11-10-14(3)12-17(16)24-19(23)20(4,18(21)22)15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,21,22)/t14-,16+,17-,20+/m1/s1