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

Systemtic Name: ethyl 1-[(E)-3-(6-ethoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(E)-3-(6-ethoxy-3,7-dimethyl-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(6-ethoxy-3,7-dimethyl-5-benzofuranyl)-1-oxobut-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(6-ethoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(6-ethoxy-3,7-dimethyl-benzofuran-5-yl)but-2-enoyl]isonipecotic acid ethyl ester Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=COC2=C1C)C)C(=CC(=O)N3CCC(CC3)C(=O)OCC)C

Isomeric SMILES

CCOC1=C(C=C2C(=COC2=C1C)C)/C(=C/C(=O)N3CCC(CC3)C(=O)OCC)/C

InChI

InChI=1S/C24H31NO5/c1-6-28-22-17(5)23-20(16(4)14-30-23)13-19(22)15(3)12-21(26)25-10-8-18(9-11-25)24(27)29-7-2/h12-14,18H,6-11H2,1-5H3/b15-12+