methyl (1S,2R,3R)-3-(4-methoxyphenyl)-1-methyl-2-(phenylmethyl)cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R,3R)-3-(4-methoxyphenyl)-1-methyl-2-(phenylmethyl)cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R,3R)-2-benzyl-3-(4-methoxyphenyl)-1-methyl-cyclohexanecarboxylate CAS Name: (1S,2R,3R)-3-(4-methoxyphenyl)-1-methyl-2-(phenylmethyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,3R)-2-benzyl-3-(4-methoxyphenyl)-1-methylcyclohexane-1-carboxylate Traditional Name: (1S,2R,3R)-2-benzyl-3-(4-methoxyphenyl)-1-methyl-cyclohexanecarboxylic acid methyl ester Formula: C23H28O3 MolecularWeight: 352.46662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28O3/c1-23(22(24)26-3)15-7-10-20(18-11-13-19(25-2)14-12-18)21(23)16-17-8-5-4-6-9-17/h4-6,8-9,11-14,20-21H,7,10,15-16H2,1-3H3/t20-,21+,23-/m0/s1