8-[[(E)-4-phenylbut-3-enoyl]amino]octanoic acid

Systemtic Name: 8-[[(E)-4-phenylbut-3-enoyl]amino]octanoic acid Openeye Name: 8-[[(E)-4-phenylbut-3-enoyl]amino]octanoic acid CAS Name: 8-[[(E)-1-oxo-4-phenylbut-3-enyl]amino]octanoic acid IUPAC Name: 8-[[(E)-4-phenylbut-3-enoyl]amino]octanoic acid Traditional Name: 8-[[(E)-4-phenylbut-3-enoyl]amino]caprylic acid Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO3/c20-17(13-9-12-16-10-5-4-6-11-16)19-15-8-3-1-2-7-14-18(21)22/h4-6,9-12H,1-3,7-8,13-15H2,(H,19,20)(H,21,22)/b12-9+