[(E)-4-[2-oxidanylidene-6-[(2E)-penta-2,4-dienyl]piperidin-1-yl]but-2-enyl] benzoate

Systemtic Name: [(E)-4-[2-oxidanylidene-6-[(2E)-penta-2,4-dienyl]piperidin-1-yl]but-2-enyl] benzoate Openeye Name: [(E)-4-[2-oxo-6-[(2E)-penta-2,4-dienyl]-1-piperidyl]but-2-enyl] benzoate CAS Name: benzoic acid [(E)-4-[2-oxo-6-[(2E)-penta-2,4-dienyl]-1-piperidinyl]but-2-enyl] ester IUPAC Name: [(E)-4-[2-oxo-6-[(2E)-penta-2,4-dienyl]piperidin-1-yl]but-2-enyl] benzoate Traditional Name: benzoic acid [(E)-4-[2-keto-6-[(2E)-penta-2,4-dienyl]piperidino]but-2-enyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

C=CC=CCC1CCCC(=O)N1CC=CCOC(=O)C2=CC=CC=C2

Isomeric SMILES

C=C/C=C/CC1CCCC(=O)N1C/C=C/COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO3/c1-2-3-5-13-19-14-10-15-20(23)22(19)16-8-9-17-25-21(24)18-11-6-4-7-12-18/h2-9,11-12,19H,1,10,13-17H2/b5-3+,9-8+