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

Systemtic Name: methyl 1-[(E)-3-(6-ethoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(6-ethoxy-2,3,7-trimethyl-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(6-ethoxy-2,3,7-trimethyl-5-benzofuranyl)-1-oxobut-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(6-ethoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(6-ethoxy-2,3,7-trimethyl-benzofuran-5-yl)but-2-enoyl]isonipecotic acid methyl ester Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C(OC2=C1C)C)C)C(=CC(=O)N3CCC(CC3)C(=O)OC)C

Isomeric SMILES

CCOC1=C(C=C2C(=C(OC2=C1C)C)C)/C(=C/C(=O)N3CCC(CC3)C(=O)OC)/C

InChI

InChI=1S/C24H31NO5/c1-7-29-22-16(4)23-20(15(3)17(5)30-23)13-19(22)14(2)12-21(26)25-10-8-18(9-11-25)24(27)28-6/h12-13,18H,7-11H2,1-6H3/b14-12+