7-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]heptanoic acid

Systemtic Name: 7-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]heptanoic acid Openeye Name: 7-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]heptanoic acid CAS Name: 7-[[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]amino]heptanoic acid IUPAC Name: 7-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]heptanoic acid Traditional Name: 7-[[(E)-3-(3-bromophenyl)acryloyl]amino]enanthic acid Formula: C16H20BrNO3 MolecularWeight: 354.2389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO3/c17-14-7-5-6-13(12-14)9-10-15(19)18-11-4-2-1-3-8-16(20)21/h5-7,9-10,12H,1-4,8,11H2,(H,18,19)(H,20,21)/b10-9+