ethyl (2R,3R)-5-chloranyl-6-methyl-3-(4-methylphenyl)-3-oxidanyl-2H-1-benzofuran-2-carboxylate

Systemtic Name: ethyl (2R,3R)-5-chloranyl-6-methyl-3-(4-methylphenyl)-3-oxidanyl-2H-1-benzofuran-2-carboxylate Openeye Name: ethyl (2R,3R)-5-chloro-3-hydroxy-6-methyl-3-(p-tolyl)-2H-benzofuran-2-carboxylate CAS Name: (2R,3R)-5-chloro-3-hydroxy-6-methyl-3-(4-methylphenyl)-2H-benzofuran-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R)-5-chloro-3-hydroxy-6-methyl-3-(4-methylphenyl)-2H-1-benzofuran-2-carboxylate Traditional Name: (2R,3R)-5-chloro-3-hydroxy-6-methyl-3-(p-tolyl)coumaran-2-carboxylic acid ethyl ester Formula: C19H19ClO4 MolecularWeight: 346.80476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=CC(=C(C=C2O1)C)Cl)(C3=CC=C(C=C3)C)O

Isomeric SMILES

CCOC(=O)[C@H]1[C@](C2=CC(=C(C=C2O1)C)Cl)(C3=CC=C(C=C3)C)O

InChI

InChI=1S/C19H19ClO4/c1-4-23-18(21)17-19(22,13-7-5-11(2)6-8-13)14-10-15(20)12(3)9-16(14)24-17/h5-10,17,22H,4H2,1-3H3/t17-,19+/m0/s1