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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=C(C=CC=C2Cl)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2=C(C=CC=C2Cl)F)C(=O)O

InChI

InChI=1S/C15H15ClFNO3/c16-12-4-1-5-13(17)11(12)6-7-14(19)18-8-2-3-10(9-18)15(20)21/h1,4-7,10H,2-3,8-9H2,(H,20,21)/b7-6+