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

Systemtic Name: 1-[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-3-(3-chloro-4-fluorophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-3-(3-chloro-4-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=CC(=C(C=C2)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClFNO3/c16-12-9-10(1-3-13(12)17)2-4-14(19)18-7-5-11(6-8-18)15(20)21/h1-4,9,11H,5-8H2,(H,20,21)/b4-2+