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

Systemtic Name: methyl 1-[(E)-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(6-ethoxy-3-methyl-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(6-ethoxy-3-methyl-5-benzofuranyl)-1-oxobut-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(6-ethoxy-3-methyl-benzofuran-5-yl)but-2-enoyl]isonipecotic acid methyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=COC2=C1)C)C(=CC(=O)N3CCC(CC3)C(=O)OC)C

Isomeric SMILES

CCOC1=C(C=C2C(=COC2=C1)C)/C(=C/C(=O)N3CCC(CC3)C(=O)OC)/C

InChI

InChI=1S/C22H27NO5/c1-5-27-19-12-20-18(15(3)13-28-20)11-17(19)14(2)10-21(24)23-8-6-16(7-9-23)22(25)26-4/h10-13,16H,5-9H2,1-4H3/b14-10+