6-[[(E)-3-(5-bromanylfuran-2-yl)prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 6-[[(E)-3-(5-bromanylfuran-2-yl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-[[(E)-3-(5-bromo-2-furyl)prop-2-enoyl]amino]hexanoic acid CAS Name: 6-[[(E)-3-(5-bromo-2-furanyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-[[(E)-3-(5-bromo-2-furyl)acryloyl]amino]hexanoic acid Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO4/c14-11-7-5-10(19-11)6-8-12(16)15-9-3-1-2-4-13(17)18/h5-8H,1-4,9H2,(H,15,16)(H,17,18)/b8-6+