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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=C(C=CC(=C2)Br)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2=C(C=CC(=C2)Br)F)C(=O)O

InChI

InChI=1S/C15H15BrFNO3/c16-12-4-5-13(17)10(8-12)3-6-14(19)18-7-1-2-11(9-18)15(20)21/h3-6,8,11H,1-2,7,9H2,(H,20,21)/b6-3+