ethyl 3-methyl-3-oxidanyl-2-phenyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-methyl-3-oxidanyl-2-phenyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-hydroxy-3-methyl-2-phenyl-benzofuran-2-carboxylate CAS Name: 3-hydroxy-3-methyl-2-phenyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-3-methyl-2-phenyl-1-benzofuran-2-carboxylate Traditional Name: 3-hydroxy-3-methyl-2-phenyl-coumaran-2-carboxylic acid ethyl ester Formula: C18H18O4 MolecularWeight: 298.33312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C2=CC=CC=C2O1)(C)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(C(C2=CC=CC=C2O1)(C)O)C3=CC=CC=C3

InChI

InChI=1S/C18H18O4/c1-3-21-16(19)18(13-9-5-4-6-10-13)17(2,20)14-11-7-8-12-15(14)22-18/h4-12,20H,3H2,1-2H3