ethyl 1-[(E)-3-(6-ethoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(E)-3-(6-ethoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(E)-3-(6-ethoxy-2,3,7-trimethyl-benzofuran-5-yl)but-2-enoyl]piperidine-3-carboxylate CAS Name: 1-[(E)-3-(6-ethoxy-2,3,7-trimethyl-5-benzofuranyl)-1-oxobut-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(6-ethoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-3-carboxylate Traditional Name: 1-[(E)-3-(6-ethoxy-2,3,7-trimethyl-benzofuran-5-yl)but-2-enoyl]nipecotic acid ethyl ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C(OC2=C1C)C)C)C(=CC(=O)N3CCCC(C3)C(=O)OCC)C

Isomeric SMILES

CCOC1=C(C=C2C(=C(OC2=C1C)C)C)/C(=C/C(=O)N3CCCC(C3)C(=O)OCC)/C

InChI

InChI=1S/C25H33NO5/c1-7-29-23-17(5)24-21(16(4)18(6)31-24)13-20(23)15(3)12-22(27)26-11-9-10-19(14-26)25(28)30-8-2/h12-13,19H,7-11,14H2,1-6H3/b15-12+