8-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]octanoic acid

Systemtic Name: 8-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]octanoic acid Openeye Name: 8-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]octanoic acid CAS Name: 8-[[(2E,4E)-1-oxo-5-phenylpenta-2,4-dienyl]amino]octanoic acid IUPAC Name: 8-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]octanoic acid Traditional Name: 8-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]caprylic acid Formula: C19H25NO3 MolecularWeight: 315.4067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO3/c21-18(14-9-8-13-17-11-5-4-6-12-17)20-16-10-3-1-2-7-15-19(22)23/h4-6,8-9,11-14H,1-3,7,10,15-16H2,(H,20,21)(H,22,23)/b13-8+,14-9+