[(2S,4R,5R)-2,5-dimethyl-1-[(E)-3-oxidanylideneprop-1-enyl]piperidin-4-yl] benzoate

Systemtic Name: [(2S,4R,5R)-2,5-dimethyl-1-[(E)-3-oxidanylideneprop-1-enyl]piperidin-4-yl] benzoate Openeye Name: [(2S,4R,5R)-2,5-dimethyl-1-[(E)-3-oxoprop-1-enyl]-4-piperidyl] benzoate CAS Name: benzoic acid [(2S,4R,5R)-2,5-dimethyl-1-[(E)-3-oxoprop-1-enyl]-4-piperidinyl] ester IUPAC Name: [(2S,4R,5R)-2,5-dimethyl-1-[(E)-3-oxoprop-1-enyl]piperidin-4-yl] benzoate Traditional Name: benzoic acid [(2S,4R,5R)-1-[(E)-3-ketoprop-1-enyl]-2,5-dimethyl-4-piperidyl] ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C=CC=O)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H]1C[C@H]([C@@H](CN1/C=C/C=O)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO3/c1-13-12-18(9-6-10-19)14(2)11-16(13)21-17(20)15-7-4-3-5-8-15/h3-10,13-14,16H,11-12H2,1-2H3/b9-6+/t13-,14+,16-/m1/s1