butyl (3E)-1-oxidanylidene-3-(phenylmethylidene)-2-benzofuran-4-carboxylate

Systemtic Name: butyl (3E)-1-oxidanylidene-3-(phenylmethylidene)-2-benzofuran-4-carboxylate Openeye Name: butyl (3E)-3-benzylidene-1-oxo-isobenzofuran-4-carboxylate CAS Name: (3E)-1-oxo-3-(phenylmethylene)-4-isobenzofurancarboxylic acid butyl ester IUPAC Name: butyl (3E)-3-benzylidene-1-oxo-2-benzofuran-4-carboxylate Traditional Name: (3E)-3-benzal-1-keto-phthalan-4-carboxylic acid butyl ester Formula: C20H18O4 MolecularWeight: 322.35452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC2=C1C(=CC3=CC=CC=C3)OC2=O

Isomeric SMILES

CCCCOC(=O)C1=CC=CC2=C1/C(=C\C3=CC=CC=C3)/OC2=O

InChI

InChI=1S/C20H18O4/c1-2-3-12-23-19(21)15-10-7-11-16-18(15)17(24-20(16)22)13-14-8-5-4-6-9-14/h4-11,13H,2-3,12H2,1H3/b17-13+