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

Systemtic Name: methyl 4-[[(E)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[(E)-3-[6-methoxy-3-(p-tolyl)benzofuran-5-yl]but-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-[6-methoxy-3-(4-methylphenyl)-5-benzofuranyl]-1-oxobut-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-[6-methoxy-3-(p-tolyl)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:

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

Isomeric SMILES

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

InChI

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