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

Systemtic Name: 1-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-5-yl]but-2-enoyl]piperidine-4-carboxamide Openeye Name: 1-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-benzofuran-5-yl]but-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-5-benzofuranyl]-1-oxobut-2-enyl]-4-piperidinecarboxamide IUPAC Name: 1-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-5-yl]but-2-enoyl]piperidine-4-carboxamide Traditional Name: 1-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-benzofuran-5-yl]but-2-enoyl]isonipecotamide Formula: C25H25ClN2O4 MolecularWeight: 452.93

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCC(CC1)C(=O)N)C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)Cl)OC

Isomeric SMILES

C/C(=C\C(=O)N1CCC(CC1)C(=O)N)/C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C25H25ClN2O4/c1-15(11-24(29)28-9-7-17(8-10-28)25(27)30)19-12-20-21(16-3-5-18(26)6-4-16)14-32-23(20)13-22(19)31-2/h3-6,11-14,17H,7-10H2,1-2H3,(H2,27,30)/b15-11+