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

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

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)C(=CC(=O)N4CCC(CC4)C(=O)OC)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)/C(=C/C(=O)N4CCC(CC4)C(=O)OC)/C

InChI

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