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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C=C(C)C2=C(C=C3C(=C2)C(=CO3)C)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)/C=C(\C)/C2=C(C=C3C(=C2)C(=CO3)C)OC

InChI

InChI=1S/C22H27NO5/c1-5-27-22(25)16-7-6-8-23(12-16)21(24)9-14(2)17-10-18-15(3)13-28-20(18)11-19(17)26-4/h9-11,13,16H,5-8,12H2,1-4H3/b14-9+