1-[(E)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxamide

Systemtic Name: 1-[(E)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxamide Openeye Name: 1-[(E)-3-(6-methoxy-3,7-dimethyl-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-3-(6-methoxy-3,7-dimethyl-5-benzofuranyl)-1-oxobut-2-enyl]-4-piperidinecarboxamide IUPAC Name: 1-[(E)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxamide Traditional Name: 1-[(E)-3-(6-methoxy-3,7-dimethyl-benzofuran-5-yl)but-2-enoyl]isonipecotamide Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C(=C(C=C12)C(=CC(=O)N3CCC(CC3)C(=O)N)C)OC)C

Isomeric SMILES

CC1=COC2=C(C(=C(C=C12)/C(=C/C(=O)N3CCC(CC3)C(=O)N)/C)OC)C

InChI

InChI=1S/C21H26N2O4/c1-12(9-18(24)23-7-5-15(6-8-23)21(22)25)16-10-17-13(2)11-27-20(17)14(3)19(16)26-4/h9-11,15H,5-8H2,1-4H3,(H2,22,25)/b12-9+