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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C=C(C)C2=C(C=C3C(=C2)C(=C(O3)C)C)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)/C=C(\C)/C2=C(C=C3C(=C2)C(=C(O3)C)C)OC

InChI

InChI=1S/C23H29NO5/c1-6-28-23(26)17-8-7-9-24(13-17)22(25)10-14(2)18-11-19-15(3)16(4)29-21(19)12-20(18)27-5/h10-12,17H,6-9,13H2,1-5H3/b14-10+