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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClFNO3/c16-12-8-10(3-5-13(12)17)4-6-14(19)18-7-1-2-11(9-18)15(20)21/h3-6,8,11H,1-2,7,9H2,(H,20,21)/b6-4+