phenacyl 3-methyl-5-(3-oxidanylidenebutyl)-1-benzofuran-2-carboxylate

Systemtic Name: phenacyl 3-methyl-5-(3-oxidanylidenebutyl)-1-benzofuran-2-carboxylate Openeye Name: phenacyl 3-methyl-5-(3-oxobutyl)benzofuran-2-carboxylate CAS Name: 3-methyl-5-(3-oxobutyl)-2-benzofurancarboxylic acid phenacyl ester IUPAC Name: phenacyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate Traditional Name: 5-(3-ketobutyl)-3-methyl-coumarilic acid phenacyl ester Formula: C22H20O5 MolecularWeight: 364.3912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)CCC(=O)C)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)CCC(=O)C)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20O5/c1-14(23)8-9-16-10-11-20-18(12-16)15(2)21(27-20)22(25)26-13-19(24)17-6-4-3-5-7-17/h3-7,10-12H,8-9,13H2,1-2H3