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

Systemtic Name: 8-[4-[(1-naphthalen-1-yl-5-oxidanyl-3-oxidanylidene-2H-pyrrol-4-yl)carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[[5-hydroxy-1-(1-naphthyl)-3-oxo-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoic acid CAS Name: 8-[4-[[[5-hydroxy-1-(1-naphthalenyl)-3-oxo-2H-pyrrol-4-yl]-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[(5-hydroxy-1-naphthalen-1-yl-3-oxo-2H-pyrrole-4-carbonyl)amino]phenoxy]octanoic acid Traditional Name: 8-[4-[[2-hydroxy-4-keto-1-(1-naphthyl)-2-pyrroline-3-carbonyl]amino]phenoxy]caprylic acid Formula: C29H30N2O6 MolecularWeight: 502.5583

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=CC3=CC=CC=C32)O)C(=O)NC4=CC=C(C=C4)OCCCCCCCC(=O)O

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=CC3=CC=CC=C32)O)C(=O)NC4=CC=C(C=C4)OCCCCCCCC(=O)O

InChI

InChI=1S/C29H30N2O6/c32-25-19-31(24-12-8-10-20-9-5-6-11-23(20)24)29(36)27(25)28(35)30-21-14-16-22(17-15-21)37-18-7-3-1-2-4-13-26(33)34/h5-6,8-12,14-17,36H,1-4,7,13,18-19H2,(H,30,35)(H,33,34)