ethyl 7-chloranyl-5-(3-methylbutanoyl)-6-oxidanyl-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 7-chloranyl-5-(3-methylbutanoyl)-6-oxidanyl-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: ethyl 7-chloro-6-hydroxy-5-(3-methylbutanoyl)-2,3-dihydrobenzofuran-2-carboxylate CAS Name: 7-chloro-6-hydroxy-5-(3-methyl-1-oxobutyl)-2,3-dihydrobenzofuran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-6-hydroxy-5-(3-methylbutanoyl)-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: 7-chloro-6-hydroxy-5-isovaleryl-coumaran-2-carboxylic acid ethyl ester Formula: C16H19ClO5 MolecularWeight: 326.77206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(O1)C(=C(C(=C2)C(=O)CC(C)C)O)Cl

Isomeric SMILES

CCOC(=O)C1CC2=C(O1)C(=C(C(=C2)C(=O)CC(C)C)O)Cl

InChI

InChI=1S/C16H19ClO5/c1-4-21-16(20)12-7-9-6-10(11(18)5-8(2)3)14(19)13(17)15(9)22-12/h6,8,12,19H,4-5,7H2,1-3H3