[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-(5-methoxy-4-methyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-(5-methoxy-4-methyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S)-2-(2-benzyloxy-5-methoxy-4-methyl-phenyl)-2-hydroxy-propanoate CAS Name: (2S)-2-hydroxy-2-(5-methoxy-4-methyl-2-phenylmethoxyphenyl)propanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-hydroxy-2-(5-methoxy-4-methyl-2-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-2-(2-benzoxy-5-methoxy-4-methyl-phenyl)-2-hydroxy-propionic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C28H38O5 MolecularWeight: 454.59832

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C)(C2=C(C=C(C(=C2)OC)C)OCC3=CC=CC=C3)O)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@](C)(C2=C(C=C(C(=C2)OC)C)OCC3=CC=CC=C3)O)C(C)C

InChI

InChI=1S/C28H38O5/c1-18(2)22-13-12-19(3)14-25(22)33-27(29)28(5,30)23-16-24(31-6)20(4)15-26(23)32-17-21-10-8-7-9-11-21/h7-11,15-16,18-19,22,25,30H,12-14,17H2,1-6H3/t19-,22+,25-,28+/m1/s1