1-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]isonipecotic acid Formula: C15H15BrFNO3 MolecularWeight: 356.186903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrFNO3/c16-12-2-3-13(17)11(9-12)1-4-14(19)18-7-5-10(6-8-18)15(20)21/h1-4,9-10H,5-8H2,(H,20,21)/b4-1+