[4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: [4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate Openeye Name: [4-[(E)-3-(4-bromophenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 5-ethoxy-2-methyl-benzofuran-3-carboxylate CAS Name: 5-ethoxy-2-methyl-3-benzofurancarboxylic acid [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-ethoxy-2-methyl-benzofuran-3-carboxylic acid [4-[(E)-3-(4-bromophenyl)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C28H23BrO6 MolecularWeight: 535.38262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C(=O)OC3=C(C=C(C=C3)C=CC(=O)C4=CC=C(C=C4)Br)OC)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C(=O)OC3=C(C=C(C=C3)/C=C/C(=O)C4=CC=C(C=C4)Br)OC)C

InChI

InChI=1S/C28H23BrO6/c1-4-33-21-11-14-24-22(16-21)27(17(2)34-24)28(31)35-25-13-6-18(15-26(25)32-3)5-12-23(30)19-7-9-20(29)10-8-19/h5-16H,4H2,1-3H3/b12-5+