(E)-3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[(3S,5S)-3,5-dimethyl-1-piperidyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(3S,5S)-3,5-dimethyl-1-piperidinyl]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(3S,5S)-3,5-dimethylpiperidino]phenyl]acrylate Formula: C16H20NO2- MolecularWeight: 258.3355

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=CC=C(C=C2)C=CC(=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=CC=C(C=C2)/C=C/C(=O)[O-])C

InChI

InChI=1S/C16H21NO2/c1-12-9-13(2)11-17(10-12)15-6-3-14(4-7-15)5-8-16(18)19/h3-8,12-13H,9-11H2,1-2H3,(H,18,19)/p-1/b8-5+/t12-,13-/m0/s1