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

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrNO3/c16-13-5-1-3-11(9-13)6-7-14(18)17-8-2-4-12(10-17)15(19)20/h1,3,5-7,9,12H,2,4,8,10H2,(H,19,20)/b7-6+