8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanoic acid

Systemtic Name: 8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanoic acid Openeye Name: 8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanoic acid CAS Name: 8-[[(E)-3-(2-fluorophenyl)-1-oxoprop-2-enyl]amino]octanoic acid IUPAC Name: 8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanoic acid Traditional Name: 8-[[(E)-3-(2-fluorophenyl)acryloyl]amino]caprylic acid Formula: C17H22FNO3 MolecularWeight: 307.359883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)NCCCCCCCC(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)NCCCCCCCC(=O)O)F

InChI

InChI=1S/C17H22FNO3/c18-15-9-6-5-8-14(15)11-12-16(20)19-13-7-3-1-2-4-10-17(21)22/h5-6,8-9,11-12H,1-4,7,10,13H2,(H,19,20)(H,21,22)/b12-11+