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

Systemtic Name: ethyl 1-[(E)-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(E)-3-(6-ethoxy-3-methyl-benzofuran-5-yl)but-2-enoyl]piperidine-3-carboxylate CAS Name: 1-[(E)-3-(6-ethoxy-3-methyl-5-benzofuranyl)-1-oxobut-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-3-carboxylate Traditional Name: 1-[(E)-3-(6-ethoxy-3-methyl-benzofuran-5-yl)but-2-enoyl]nipecotic acid ethyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=COC2=C1)C)C(=CC(=O)N3CCCC(C3)C(=O)OCC)C

Isomeric SMILES

CCOC1=C(C=C2C(=COC2=C1)C)/C(=C/C(=O)N3CCCC(C3)C(=O)OCC)/C

InChI

InChI=1S/C23H29NO5/c1-5-27-20-12-21-19(16(4)14-29-21)11-18(20)15(3)10-22(25)24-9-7-8-17(13-24)23(26)28-6-2/h10-12,14,17H,5-9,13H2,1-4H3/b15-10+