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

Systemtic Name: 8-[4-[(5-oxidanyl-3-oxidanylidene-1,2-diphenyl-2H-pyrrol-4-yl)carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[(5-hydroxy-3-oxo-1,2-diphenyl-2H-pyrrole-4-carbonyl)amino]phenoxy]octanoic acid CAS Name: 8-[4-[[(5-hydroxy-3-oxo-1,2-diphenyl-2H-pyrrol-4-yl)-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[(5-hydroxy-3-oxo-1,2-diphenyl-2H-pyrrole-4-carbonyl)amino]phenoxy]octanoic acid Traditional Name: 8-[4-[(2-hydroxy-4-keto-1,5-diphenyl-2-pyrroline-3-carbonyl)amino]phenoxy]caprylic acid Formula: C31H32N2O6 MolecularWeight: 528.59558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=O)C(=C(N2C3=CC=CC=C3)O)C(=O)NC4=CC=C(C=C4)OCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2C(=O)C(=C(N2C3=CC=CC=C3)O)C(=O)NC4=CC=C(C=C4)OCCCCCCCC(=O)O

InChI

InChI=1S/C31H32N2O6/c34-26(35)16-10-2-1-3-11-21-39-25-19-17-23(18-20-25)32-30(37)27-29(36)28(22-12-6-4-7-13-22)33(31(27)38)24-14-8-5-9-15-24/h4-9,12-15,17-20,28,38H,1-3,10-11,16,21H2,(H,32,37)(H,34,35)