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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C(OC2=C1)C)C)C(=CC(=O)N3CCCC(C3)C(=O)OCC)C

Isomeric SMILES

CCOC1=C(C=C2C(=C(OC2=C1)C)C)/C(=C/C(=O)N3CCCC(C3)C(=O)OCC)/C

InChI

InChI=1S/C24H31NO5/c1-6-28-21-13-22-20(16(4)17(5)30-22)12-19(21)15(3)11-23(26)25-10-8-9-18(14-25)24(27)29-7-2/h11-13,18H,6-10,14H2,1-5H3/b15-11+