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

Systemtic Name: methyl 1-[(E)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(6-methoxy-3-phenyl-5-benzofuranyl)-1-oxobut-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]isonipecotic acid methyl ester Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCC(CC1)C(=O)OC)C2=C(C=C3C(=C2)C(=CO3)C4=CC=CC=C4)OC

Isomeric SMILES

C/C(=C\C(=O)N1CCC(CC1)C(=O)OC)/C2=C(C=C3C(=C2)C(=CO3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H27NO5/c1-17(13-25(28)27-11-9-19(10-12-27)26(29)31-3)20-14-21-22(18-7-5-4-6-8-18)16-32-24(21)15-23(20)30-2/h4-8,13-16,19H,9-12H2,1-3H3/b17-13+