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

Systemtic Name: 1-[(E)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxamide Openeye Name: 1-[(E)-3-(6-ethoxy-2,3-dimethyl-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-3-(6-ethoxy-2,3-dimethyl-5-benzofuranyl)-1-oxobut-2-enyl]-4-piperidinecarboxamide IUPAC Name: 1-[(E)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxamide Traditional Name: 1-[(E)-3-(6-ethoxy-2,3-dimethyl-benzofuran-5-yl)but-2-enoyl]isonipecotamide Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C(OC2=C1)C)C)C(=CC(=O)N3CCC(CC3)C(=O)N)C

Isomeric SMILES

CCOC1=C(C=C2C(=C(OC2=C1)C)C)/C(=C/C(=O)N3CCC(CC3)C(=O)N)/C

InChI

InChI=1S/C22H28N2O4/c1-5-27-19-12-20-18(14(3)15(4)28-20)11-17(19)13(2)10-21(25)24-8-6-16(7-9-24)22(23)26/h10-12,16H,5-9H2,1-4H3,(H2,23,26)/b13-10+