ethyl 1-[2-[3-chloranyl-2-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[3-chloranyl-2-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-chloro-2-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[2-[3-chloro-2-(trifluoromethyl)phenyl]-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-chloro-2-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[3-chloro-2-(trifluoromethyl)phenyl]acryloyl]isonipecotic acid ethyl ester Formula: C18H19ClF3NO3 MolecularWeight: 389.79657

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(=C)C2=C(C(=CC=C2)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(=C)C2=C(C(=CC=C2)Cl)C(F)(F)F

InChI

InChI=1S/C18H19ClF3NO3/c1-3-26-17(25)12-7-9-23(10-8-12)16(24)11(2)13-5-4-6-14(19)15(13)18(20,21)22/h4-6,12H,2-3,7-10H2,1H3