3-[[(E)-3-[3-(2,4-dimethylphenyl)-6-methoxy-1-benzofuran-5-yl]but-2-enoyl]amino]benzamide

Systemtic Name: 3-[[(E)-3-[3-(2,4-dimethylphenyl)-6-methoxy-1-benzofuran-5-yl]but-2-enoyl]amino]benzamide Openeye Name: 3-[[(E)-3-[3-(2,4-dimethylphenyl)-6-methoxy-benzofuran-5-yl]but-2-enoyl]amino]benzamide CAS Name: 3-[[(E)-3-[3-(2,4-dimethylphenyl)-6-methoxy-5-benzofuranyl]-1-oxobut-2-enyl]amino]benzamide IUPAC Name: 3-[[(E)-3-[3-(2,4-dimethylphenyl)-6-methoxy-1-benzofuran-5-yl]but-2-enoyl]amino]benzamide Traditional Name: 3-[[(E)-3-[3-(2,4-dimethylphenyl)-6-methoxy-benzofuran-5-yl]but-2-enoyl]amino]benzamide Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=COC3=CC(=C(C=C32)C(=CC(=O)NC4=CC=CC(=C4)C(=O)N)C)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=COC3=CC(=C(C=C32)/C(=C/C(=O)NC4=CC=CC(=C4)C(=O)N)/C)OC)C

InChI

InChI=1S/C28H26N2O4/c1-16-8-9-21(17(2)10-16)24-15-34-26-14-25(33-4)22(13-23(24)26)18(3)11-27(31)30-20-7-5-6-19(12-20)28(29)32/h5-15H,1-4H3,(H2,29,32)(H,30,31)/b18-11+