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

Systemtic Name: ethyl 1-[(E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(E)-3-(6-ethoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]piperidine-3-carboxylate CAS Name: 1-[(E)-3-(6-ethoxy-3-phenyl-5-benzofuranyl)-1-oxobut-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-3-carboxylate Traditional Name: 1-[(E)-3-(6-ethoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]nipecotic acid ethyl ester Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)C(=CC(=O)N4CCCC(C4)C(=O)OCC)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)/C(=C/C(=O)N4CCCC(C4)C(=O)OCC)/C

InChI

InChI=1S/C28H31NO5/c1-4-32-25-16-26-23(24(18-34-26)20-10-7-6-8-11-20)15-22(25)19(3)14-27(30)29-13-9-12-21(17-29)28(31)33-5-2/h6-8,10-11,14-16,18,21H,4-5,9,12-13,17H2,1-3H3/b19-14+