1-[(E)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enoyl]piperidine-4-carboxamide

Systemtic Name: 1-[(E)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enoyl]piperidine-4-carboxamide Openeye Name: 1-[(E)-3-[6-methoxy-3-(p-tolyl)benzofuran-5-yl]but-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-3-[6-methoxy-3-(4-methylphenyl)-5-benzofuranyl]-1-oxobut-2-enyl]-4-piperidinecarboxamide IUPAC Name: 1-[(E)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enoyl]piperidine-4-carboxamide Traditional Name: 1-[(E)-3-[6-methoxy-3-(p-tolyl)benzofuran-5-yl]but-2-enoyl]isonipecotamide Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)C(=CC(=O)N4CCC(CC4)C(=O)N)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)/C(=C/C(=O)N4CCC(CC4)C(=O)N)/C)OC

InChI

InChI=1S/C26H28N2O4/c1-16-4-6-18(7-5-16)22-15-32-24-14-23(31-3)20(13-21(22)24)17(2)12-25(29)28-10-8-19(9-11-28)26(27)30/h4-7,12-15,19H,8-11H2,1-3H3,(H2,27,30)/b17-12+