1-[(E)-3-(2-bromophenyl)prop-2-enoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(E)-3-(2-bromophenyl)prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-3-(2-bromophenyl)prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-3-(2-bromophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(2-bromophenyl)prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-3-(2-bromophenyl)acryloyl]isonipecotic acid Formula: C15H16BrNO3 MolecularWeight: 338.19644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C=CC2=CC=CC=C2Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)/C=C/C2=CC=CC=C2Br

InChI

InChI=1S/C15H16BrNO3/c16-13-4-2-1-3-11(13)5-6-14(18)17-9-7-12(8-10-17)15(19)20/h1-6,12H,7-10H2,(H,19,20)/b6-5+