[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] (2R)-5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] (2R)-5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] (2R)-5-chloro-2,3-dihydrobenzofuran-2-carboxylate CAS Name: (2R)-5-chloro-2,3-dihydrobenzofuran-2-carboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] (2R)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: (2R)-5-chlorocoumaran-2-carboxylic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C19H17ClO4 MolecularWeight: 344.78888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2CC3=C(O2)C=CC(=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)[C@H]2CC3=C(O2)C=CC(=C3)Cl)C

InChI

InChI=1S/C19H17ClO4/c1-11-3-4-13(7-12(11)2)16(21)10-23-19(22)18-9-14-8-15(20)5-6-17(14)24-18/h3-8,18H,9-10H2,1-2H3/t18-/m1/s1