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

Systemtic Name: methyl 1-[(E)-3-(6-methoxy-7-methyl-3-naphthalen-1-yl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-[6-methoxy-7-methyl-3-(1-naphthyl)benzofuran-5-yl]but-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-[6-methoxy-7-methyl-3-(1-naphthalenyl)-5-benzofuranyl]-1-oxobut-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(6-methoxy-7-methyl-3-naphthalen-1-yl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-[6-methoxy-7-methyl-3-(1-naphthyl)benzofuran-5-yl]but-2-enoyl]isonipecotic acid methyl ester Formula: C31H31NO5 MolecularWeight: 497.58154

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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=CC5=CC=CC=C54

Isomeric SMILES

CC1=C2C(=CC(=C1OC)/C(=C/C(=O)N3CCC(CC3)C(=O)OC)/C)C(=CO2)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C31H31NO5/c1-19(16-28(33)32-14-12-22(13-15-32)31(34)36-4)25-17-26-27(18-37-30(26)20(2)29(25)35-3)24-11-7-9-21-8-5-6-10-23(21)24/h5-11,16-18,22H,12-15H2,1-4H3/b19-16+