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

Systemtic Name: methyl (1S,2S,3R)-3-(4-methoxyphenyl)-1-methyl-3-oxidanyl-2-(phenylmethyl)cyclohexane-1-carboxylate Openeye Name: methyl (1S,2S,3R)-2-benzyl-3-hydroxy-3-(4-methoxyphenyl)-1-methyl-cyclohexanecarboxylate CAS Name: (1S,2S,3R)-3-hydroxy-3-(4-methoxyphenyl)-1-methyl-2-(phenylmethyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S,3R)-2-benzyl-3-hydroxy-3-(4-methoxyphenyl)-1-methylcyclohexane-1-carboxylate Traditional Name: (1S,2S,3R)-2-benzyl-3-hydroxy-3-(4-methoxyphenyl)-1-methyl-cyclohexanecarboxylic acid methyl ester Formula: C23H28O4 MolecularWeight: 368.46602

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28O4/c1-22(21(24)27-3)14-7-15-23(25,18-10-12-19(26-2)13-11-18)20(22)16-17-8-5-4-6-9-17/h4-6,8-13,20,25H,7,14-16H2,1-3H3/t20-,22-,23-/m0/s1