2-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxycarbonylbutanoic acid

Systemtic Name: 2-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxycarbonylbutanoic acid Openeye Name: 2-[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexoxy]carbonylbutanoic acid CAS Name: 2-[[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-oxomethyl]butanoic acid IUPAC Name: 2-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxycarbonylbutanoic acid Traditional Name: 2-[(1R,2S,5R)-2-cumyl-5-methyl-cyclohexoxy]carbonylbutyric acid Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)C(=O)OC1CC(CCC1C(C)(C)C2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H30O4/c1-5-16(19(22)23)20(24)25-18-13-14(2)11-12-17(18)21(3,4)15-9-7-6-8-10-15/h6-10,14,16-18H,5,11-13H2,1-4H3,(H,22,23)/t14-,16?,17-,18-/m1/s1