cyanomethyl 4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: cyanomethyl 4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: cyanomethyl 4-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethoxy]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethoxy]benzoic acid cyanomethyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC2=CC=C(C=C2)C(=O)OCC#N)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)COC2=CC=C(C=C2)C(=O)OCC#N)C

InChI

InChI=1S/C18H22N2O4/c1-13-4-3-5-14(2)20(13)17(21)12-24-16-8-6-15(7-9-16)18(22)23-11-10-19/h6-9,13-14H,3-5,11-12H2,1-2H3/t13-,14-/m0/s1