[(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [(1R)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [(1R)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C20H21ClO6 MolecularWeight: 392.83014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)C2=CC=C(C=C2)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)O[C@H](C)C(=O)C2=CC=C(C=C2)OC)OC

InChI

InChI=1S/C20H21ClO6/c1-5-26-19-16(21)10-14(11-17(19)25-4)20(23)27-12(2)18(22)13-6-8-15(24-3)9-7-13/h6-12H,5H2,1-4H3/t12-/m1/s1