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

Systemtic Name: ethyl 1-[(E)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(E)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(6-methoxy-3-phenyl-5-benzofuranyl)-1-oxobut-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]isonipecotic acid ethyl ester Formula: C27H29NO5 MolecularWeight: 447.52286

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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(=CO3)C4=CC=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)/C=C(\C)/C2=C(C=C3C(=C2)C(=CO3)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H29NO5/c1-4-32-27(30)20-10-12-28(13-11-20)26(29)14-18(2)21-15-22-23(19-8-6-5-7-9-19)17-33-25(22)16-24(21)31-3/h5-9,14-17,20H,4,10-13H2,1-3H3/b18-14+