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

Systemtic Name: methyl 1-[(E)-3-(6-methoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(6-methoxy-2,3,7-trimethyl-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(6-methoxy-2,3,7-trimethyl-5-benzofuranyl)-1-oxobut-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(6-methoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(6-methoxy-2,3,7-trimethyl-benzofuran-5-yl)but-2-enoyl]isonipecotic acid methyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C(=C(C=C12)C(=CC(=O)N3CCC(CC3)C(=O)OC)C)OC)C)C

Isomeric SMILES

CC1=C(OC2=C(C(=C(C=C12)/C(=C/C(=O)N3CCC(CC3)C(=O)OC)/C)OC)C)C

InChI

InChI=1S/C23H29NO5/c1-13(11-20(25)24-9-7-17(8-10-24)23(26)28-6)18-12-19-14(2)16(4)29-22(19)15(3)21(18)27-5/h11-12,17H,7-10H2,1-6H3/b13-11+