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

Systemtic Name: (1S,2S,3S)-3-(4-methoxyphenyl)-1-methyl-2-(phenylmethyl)cyclohexane-1-carboxylic acid Openeye Name: (1S,2S,3S)-2-benzyl-3-(4-methoxyphenyl)-1-methyl-cyclohexanecarboxylic acid CAS Name: (1S,2S,3S)-3-(4-methoxyphenyl)-1-methyl-2-(phenylmethyl)-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S,3S)-2-benzyl-3-(4-methoxyphenyl)-1-methylcyclohexane-1-carboxylic acid Traditional Name: (1S,2S,3S)-2-benzyl-3-(4-methoxyphenyl)-1-methyl-cyclohexanecarboxylic acid Formula: C22H26O3 MolecularWeight: 338.44004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O3/c1-22(21(23)24)14-6-9-19(17-10-12-18(25-2)13-11-17)20(22)15-16-7-4-3-5-8-16/h3-5,7-8,10-13,19-20H,6,9,14-15H2,1-2H3,(H,23,24)/t19-,20+,22+/m1/s1