methyl 1-[(E)-3-(6-methoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(E)-3-(6-methoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(6-methoxy-7-methyl-3-phenyl-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(6-methoxy-7-methyl-3-phenyl-5-benzofuranyl)-1-oxobut-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(6-methoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(6-methoxy-7-methyl-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:

CC1=C2C(=CC(=C1OC)C(=CC(=O)N3CCC(CC3)C(=O)OC)C)C(=CO2)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=C1OC)/C(=C/C(=O)N3CCC(CC3)C(=O)OC)/C)C(=CO2)C4=CC=CC=C4

InChI

InChI=1S/C27H29NO5/c1-17(14-24(29)28-12-10-20(11-13-28)27(30)32-4)21-15-22-23(19-8-6-5-7-9-19)16-33-26(22)18(2)25(21)31-3/h5-9,14-16,20H,10-13H2,1-4H3/b17-14+