methyl 4-[[(E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-[[(E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[(E)-3-(6-ethoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(6-ethoxy-3-phenyl-5-benzofuranyl)-1-oxobut-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(6-ethoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]amino]benzoic acid methyl ester Formula: C28H25NO5 MolecularWeight: 455.5018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)C(=CC(=O)NC4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)/C(=C/C(=O)NC4=CC=C(C=C4)C(=O)OC)/C

InChI

InChI=1S/C28H25NO5/c1-4-33-25-16-26-23(24(17-34-26)19-8-6-5-7-9-19)15-22(25)18(2)14-27(30)29-21-12-10-20(11-13-21)28(31)32-3/h5-17H,4H2,1-3H3,(H,29,30)/b18-14+