methyl 4-[[(E)-3-(6-methoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-[[(E)-3-(6-methoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[(E)-3-(6-methoxy-7-methyl-3-phenyl-benzofuran-5-yl)but-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(6-methoxy-7-methyl-3-phenyl-5-benzofuranyl)-1-oxobut-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-(6-methoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(6-methoxy-7-methyl-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:

CC1=C2C(=CC(=C1OC)C(=CC(=O)NC3=CC=C(C=C3)C(=O)OC)C)C(=CO2)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=C1OC)/C(=C/C(=O)NC3=CC=C(C=C3)C(=O)OC)/C)C(=CO2)C4=CC=CC=C4

InChI

InChI=1S/C28H25NO5/c1-17(14-25(30)29-21-12-10-20(11-13-21)28(31)33-4)22-15-23-24(19-8-6-5-7-9-19)16-34-27(23)18(2)26(22)32-3/h5-16H,1-4H3,(H,29,30)/b17-14+