6-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 6-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]hexanoic acid CAS Name: 6-[[(E)-3-(2-bromophenyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-[[(E)-3-(2-bromophenyl)acryloyl]amino]hexanoic acid Formula: C15H18BrNO3 MolecularWeight: 340.21232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)NCCCCCC(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)NCCCCCC(=O)O)Br

InChI

InChI=1S/C15H18BrNO3/c16-13-7-4-3-6-12(13)9-10-14(18)17-11-5-1-2-8-15(19)20/h3-4,6-7,9-10H,1-2,5,8,11H2,(H,17,18)(H,19,20)/b10-9+