(4-oxidanylidene-4-phenyl-butyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-oxo-4-phenyl-butyl) 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid (4-keto-4-phenyl-butyl) ester Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20O5/c1-14-17-13-16(24-2)10-11-19(17)26-20(14)21(23)25-12-6-9-18(22)15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3