[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H21ClO5 MolecularWeight: 376.83074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=C(C(=C2)Cl)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=C(C(=C2)Cl)OC)OC

InChI

InChI=1S/C20H21ClO5/c1-5-13-6-8-14(9-7-13)18(22)12(2)26-20(23)15-10-16(21)19(25-4)17(11-15)24-3/h6-12H,5H2,1-4H3/t12-/m0/s1