methyl 1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-[3-(trifluoromethyl)phenyl]acryloyl]isonipecotic acid methyl ester Formula: C17H18F3NO3 MolecularWeight: 341.32493

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C=CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H18F3NO3/c1-24-16(23)13-7-9-21(10-8-13)15(22)6-5-12-3-2-4-14(11-12)17(18,19)20/h2-6,11,13H,7-10H2,1H3/b6-5+