methyl 2-butyl-3-(3-hydroxyphenyl)carbonyl-1-benzofuran-5-carboxylate

Systemtic Name: methyl 2-butyl-3-(3-hydroxyphenyl)carbonyl-1-benzofuran-5-carboxylate Openeye Name: methyl 2-butyl-3-(3-hydroxybenzoyl)benzofuran-5-carboxylate CAS Name: 2-butyl-3-[(3-hydroxyphenyl)-oxomethyl]-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-(3-hydroxybenzoyl)-1-benzofuran-5-carboxylate Traditional Name: 2-butyl-3-(3-hydroxybenzoyl)benzofuran-5-carboxylic acid methyl ester Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C(=O)C3=CC(=CC=C3)O

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C(=O)C3=CC(=CC=C3)O

InChI

InChI=1S/C21H20O5/c1-3-4-8-18-19(20(23)13-6-5-7-15(22)11-13)16-12-14(21(24)25-2)9-10-17(16)26-18/h5-7,9-12,22H,3-4,8H2,1-2H3