[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[(3S,5S)-3,5-dimethylpiperidino]-2-keto-ethyl] ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC=CC(=C2)C#N)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)COC(=O)C2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C17H20N2O3/c1-12-6-13(2)10-19(9-12)16(20)11-22-17(21)15-5-3-4-14(7-15)8-18/h3-5,7,12-13H,6,9-11H2,1-2H3/t12-,13-/m0/s1