(E)-3-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[(2S,6S)-2,6-dimethyl-1-piperidyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(2S,6S)-2,6-dimethyl-1-piperidinyl]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(2S,6S)-2,6-dimethylpiperidino]phenyl]acrylate Formula: C16H20NO2- MolecularWeight: 258.3355

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C2=CC=C(C=C2)C=CC(=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C2=CC=C(C=C2)/C=C/C(=O)[O-])C

InChI

InChI=1S/C16H21NO2/c1-12-4-3-5-13(2)17(12)15-9-6-14(7-10-15)8-11-16(18)19/h6-13H,3-5H2,1-2H3,(H,18,19)/p-1/b11-8+/t12-,13-/m0/s1