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

Systemtic Name: methyl (1S,2S,3R)-3-(4-methoxyphenyl)-1-methyl-3-oxidanyl-2-phenethyl-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2S,3R)-3-hydroxy-3-(4-methoxyphenyl)-1-methyl-2-phenethyl-cyclohexanecarboxylate CAS Name: (1S,2S,3R)-3-hydroxy-3-(4-methoxyphenyl)-1-methyl-2-phenethyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S,3R)-3-hydroxy-3-(4-methoxyphenyl)-1-methyl-2-phenethylcyclohexane-1-carboxylate Traditional Name: (1S,2S,3R)-3-hydroxy-3-(4-methoxyphenyl)-1-methyl-2-phenethyl-cyclohexanecarboxylic acid methyl ester Formula: C24H30O4 MolecularWeight: 382.4926

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1CCC2=CC=CC=C2)(C3=CC=C(C=C3)OC)O)C(=O)OC

Isomeric SMILES

C[C@@]1(CCC[C@@]([C@H]1CCC2=CC=CC=C2)(C3=CC=C(C=C3)OC)O)C(=O)OC

InChI

InChI=1S/C24H30O4/c1-23(22(25)28-3)16-7-17-24(26,19-11-13-20(27-2)14-12-19)21(23)15-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,21,26H,7,10,15-17H2,1-3H3/t21-,23-,24-/m0/s1