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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO3/c17-14-8-5-4-7-13(14)10-11-15(19)18-12-6-2-1-3-9-16(20)21/h4-5,7-8,10-11H,1-3,6,9,12H2,(H,18,19)(H,20,21)/b11-10+