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

Systemtic Name: 8-[[(E)-3-phenylprop-2-enoyl]amino]octanoic acid Openeye Name: 8-[[(E)-3-phenylprop-2-enoyl]amino]octanoic acid CAS Name: 8-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]octanoic acid IUPAC Name: 8-[[(E)-3-phenylprop-2-enoyl]amino]octanoic acid Traditional Name: 8-[[(E)-3-phenylacryloyl]amino]caprylic acid Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3/c19-16(13-12-15-9-5-4-6-10-15)18-14-8-3-1-2-7-11-17(20)21/h4-6,9-10,12-13H,1-3,7-8,11,14H2,(H,18,19)(H,20,21)/b13-12+