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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C15H16BrNO3/c16-13-6-3-11(4-7-13)5-8-14(18)17-9-1-2-12(10-17)15(19)20/h3-8,12H,1-2,9-10H2,(H,19,20)/b8-5+