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

Systemtic Name: ethyl 1-[(E)-3-(6-methoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C=C(C)C2=C(C(=C3C(=C2)C(=C(O3)C)C)C)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)/C=C(\C)/C2=C(C(=C3C(=C2)C(=C(O3)C)C)C)OC

InChI

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