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

Systemtic Name: methyl 1-[(E)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(6-methoxy-3,7-dimethyl-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(6-methoxy-3,7-dimethyl-5-benzofuranyl)-1-oxobut-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(6-methoxy-3,7-dimethyl-benzofuran-5-yl)but-2-enoyl]isonipecotic acid methyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C(=C(C=C12)C(=CC(=O)N3CCC(CC3)C(=O)OC)C)OC)C

Isomeric SMILES

CC1=COC2=C(C(=C(C=C12)/C(=C/C(=O)N3CCC(CC3)C(=O)OC)/C)OC)C

InChI

InChI=1S/C22H27NO5/c1-13(10-19(24)23-8-6-16(7-9-23)22(25)27-5)17-11-18-14(2)12-28-21(18)15(3)20(17)26-4/h10-12,16H,6-9H2,1-5H3/b13-10+