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

Systemtic Name: methyl 1-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(6-methoxy-3-methyl-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(6-methoxy-3-methyl-5-benzofuranyl)-1-oxobut-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(6-methoxy-3-methyl-benzofuran-5-yl)but-2-enoyl]isonipecotic acid methyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC(=C(C=C12)C(=CC(=O)N3CCC(CC3)C(=O)OC)C)OC

Isomeric SMILES

CC1=COC2=CC(=C(C=C12)/C(=C/C(=O)N3CCC(CC3)C(=O)OC)/C)OC

InChI

InChI=1S/C21H25NO5/c1-13(9-20(23)22-7-5-15(6-8-22)21(24)26-4)16-10-17-14(2)12-27-19(17)11-18(16)25-3/h9-12,15H,5-8H2,1-4H3/b13-9+