[(1S,2R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-2-oxidanyl-ethyl] 3-chloranylbenzoate

Systemtic Name: [(1S,2R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-2-oxidanyl-ethyl] 3-chloranylbenzoate Openeye Name: [(1S,2R)-2-hydroxy-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [(1S,2R)-2-hydroxy-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)ethyl] ester IUPAC Name: [(1S,2R)-2-hydroxy-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)ethyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [(1S,2R)-2-hydroxy-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)ethyl] ester Formula: C23H21ClO5 MolecularWeight: 412.86284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C2=CC=CC=C2OC)O)OC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]([C@@H](C2=CC=CC=C2OC)O)OC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H21ClO5/c1-27-18-12-10-15(11-13-18)22(21(25)19-8-3-4-9-20(19)28-2)29-23(26)16-6-5-7-17(24)14-16/h3-14,21-22,25H,1-2H3/t21-,22+/m1/s1