ethyl 1-[(E)-3-(3-methoxy-6,7,8,9-tetrahydrodibenzofuran-2-yl)but-2-enoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(E)-3-(3-methoxy-6,7,8,9-tetrahydrodibenzofuran-2-yl)but-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(E)-3-(3-methoxy-6,7,8,9-tetrahydrodibenzofuran-2-yl)but-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(3-methoxy-6,7,8,9-tetrahydrodibenzofuran-2-yl)-1-oxobut-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(3-methoxy-6,7,8,9-tetrahydrodibenzofuran-2-yl)but-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(3-methoxy-6,7,8,9-tetrahydrodibenzofuran-2-yl)but-2-enoyl]isonipecotic acid ethyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C=C(C)C2=C(C=C3C(=C2)C4=C(O3)CCCC4)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)/C=C(\C)/C2=C(C=C3C(=C2)C4=C(O3)CCCC4)OC

InChI

InChI=1S/C25H31NO5/c1-4-30-25(28)17-9-11-26(12-10-17)24(27)13-16(2)19-14-20-18-7-5-6-8-21(18)31-23(20)15-22(19)29-3/h13-15,17H,4-12H2,1-3H3/b16-13+