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

Systemtic Name: methyl 1-[(E)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-[6-methoxy-3-(p-tolyl)benzofuran-5-yl]but-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-[6-methoxy-3-(4-methylphenyl)-5-benzofuranyl]-1-oxobut-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-[6-methoxy-3-(p-tolyl)benzofuran-5-yl]but-2-enoyl]isonipecotic acid methyl ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)C(=CC(=O)N4CCC(CC4)C(=O)OC)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)/C(=C/C(=O)N4CCC(CC4)C(=O)OC)/C)OC

InChI

InChI=1S/C27H29NO5/c1-17-5-7-19(8-6-17)23-16-33-25-15-24(31-3)21(14-22(23)25)18(2)13-26(29)28-11-9-20(10-12-28)27(30)32-4/h5-8,13-16,20H,9-12H2,1-4H3/b18-13+