1-[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-3-(2-chloro-6-fluorophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-3-(2-chloro-6-fluoro-phenyl)acryloyl]isonipecotic acid Formula: C15H15ClFNO3 MolecularWeight: 311.735903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C=CC2=C(C=CC=C2Cl)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)/C=C/C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C15H15ClFNO3/c16-12-2-1-3-13(17)11(12)4-5-14(19)18-8-6-10(7-9-18)15(20)21/h1-5,10H,6-9H2,(H,20,21)/b5-4+