[(1S,2R,3R)-1-(4-methoxyphenyl)-2-methyl-1-oxidanyl-pentan-3-yl] 4-methoxybenzoate

Systemtic Name: [(1S,2R,3R)-1-(4-methoxyphenyl)-2-methyl-1-oxidanyl-pentan-3-yl] 4-methoxybenzoate Openeye Name: [(1R,2R,3S)-1-ethyl-3-hydroxy-3-(4-methoxyphenyl)-2-methyl-propyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(1S,2R,3R)-1-hydroxy-1-(4-methoxyphenyl)-2-methylpentan-3-yl] ester IUPAC Name: [(1S,2R,3R)-1-hydroxy-1-(4-methoxyphenyl)-2-methylpentan-3-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1R,2R,3S)-1-ethyl-3-hydroxy-3-(4-methoxyphenyl)-2-methyl-propyl] ester Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(C1=CC=C(C=C1)OC)O)OC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26O5/c1-5-19(26-21(23)16-8-12-18(25-4)13-9-16)14(2)20(22)15-6-10-17(24-3)11-7-15/h6-14,19-20,22H,5H2,1-4H3/t14-,19+,20-/m0/s1