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

Systemtic Name: 1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-3-(3-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=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrNO3/c16-13-3-1-2-11(10-13)4-5-14(18)17-8-6-12(7-9-17)15(19)20/h1-5,10,12H,6-9H2,(H,19,20)/b5-4+