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

Systemtic Name: methyl 1-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-5-yl]but-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-benzofuran-5-yl]but-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-5-benzofuranyl]-1-oxobut-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-5-yl]but-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-benzofuran-5-yl]but-2-enoyl]isonipecotic acid methyl ester Formula: C26H26ClNO5 MolecularWeight: 467.94134

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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=C(C=C4)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClNO5/c1-16(12-25(29)28-10-8-18(9-11-28)26(30)32-3)20-13-21-22(17-4-6-19(27)7-5-17)15-33-24(21)14-23(20)31-2/h4-7,12-15,18H,8-11H2,1-3H3/b16-12+