8-[4-[[5-oxidanyl-3-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-4-yl]carbonylamino]phenoxy]octanoic acid

Systemtic Name: 8-[4-[[5-oxidanyl-3-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-4-yl]carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[(1-benzyl-5-hydroxy-3-oxo-2H-pyrrole-4-carbonyl)amino]phenoxy]octanoic acid CAS Name: 8-[4-[[[5-hydroxy-3-oxo-1-(phenylmethyl)-2H-pyrrol-4-yl]-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[(1-benzyl-5-hydroxy-3-oxo-2H-pyrrole-4-carbonyl)amino]phenoxy]octanoic acid Traditional Name: 8-[4-[(1-benzyl-2-hydroxy-4-keto-2-pyrroline-3-carbonyl)amino]phenoxy]caprylic acid Formula: C26H30N2O6 MolecularWeight: 466.5262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1CC2=CC=CC=C2)O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O

Isomeric SMILES

C1C(=O)C(=C(N1CC2=CC=CC=C2)O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O

InChI

InChI=1S/C26H30N2O6/c29-22-18-28(17-19-9-5-4-6-10-19)26(33)24(22)25(32)27-20-12-14-21(15-13-20)34-16-8-3-1-2-7-11-23(30)31/h4-6,9-10,12-15,33H,1-3,7-8,11,16-18H2,(H,27,32)(H,30,31)