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

Systemtic Name: methyl 1-[(E)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(6-ethoxy-2,3-dimethyl-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(6-ethoxy-2,3-dimethyl-5-benzofuranyl)-1-oxobut-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(6-ethoxy-2,3-dimethyl-benzofuran-5-yl)but-2-enoyl]isonipecotic acid methyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5/c1-6-28-20-13-21-19(15(3)16(4)29-21)12-18(20)14(2)11-22(25)24-9-7-17(8-10-24)23(26)27-5/h11-13,17H,6-10H2,1-5H3/b14-11+