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

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-oxo-4-phenyl-butyl) 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid (4-keto-4-phenyl-butyl) ester Formula: C22H22O5 MolecularWeight: 366.40708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22O5/c1-3-25-17-11-12-20-18(14-17)15(2)21(27-20)22(24)26-13-7-10-19(23)16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,3,7,10,13H2,1-2H3