(1S,2S,3R)-3-(4-methoxyphenyl)-1-methyl-3-oxidanyl-2-(phenylmethyl)cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S,3R)-3-(4-methoxyphenyl)-1-methyl-3-oxidanyl-2-(phenylmethyl)cyclohexane-1-carboxylic acid Openeye Name: (1S,2S,3R)-2-benzyl-3-hydroxy-3-(4-methoxyphenyl)-1-methyl-cyclohexanecarboxylic acid CAS Name: (1S,2S,3R)-3-hydroxy-3-(4-methoxyphenyl)-1-methyl-2-(phenylmethyl)-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S,3R)-2-benzyl-3-hydroxy-3-(4-methoxyphenyl)-1-methylcyclohexane-1-carboxylic acid Traditional Name: (1S,2S,3R)-2-benzyl-3-hydroxy-3-(4-methoxyphenyl)-1-methyl-cyclohexanecarboxylic acid Formula: C22H26O4 MolecularWeight: 354.43944

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1CC2=CC=CC=C2)(C3=CC=C(C=C3)OC)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H26O4/c1-21(20(23)24)13-6-14-22(25,17-9-11-18(26-2)12-10-17)19(21)15-16-7-4-3-5-8-16/h3-5,7-12,19,25H,6,13-15H2,1-2H3,(H,23,24)/t19-,21-,22-/m0/s1