[2-[[2-ethanoyl-5-(quinolin-2-ylmethoxy)phenoxy]methyl]-6-methyl-phenyl] ethaneperoxoate

Systemtic Name: [2-[[2-ethanoyl-5-(quinolin-2-ylmethoxy)phenoxy]methyl]-6-methyl-phenyl] ethaneperoxoate Openeye Name: [2-[[2-acetyl-5-(2-quinolylmethoxy)phenoxy]methyl]-6-methyl-phenyl] peroxyacetate CAS Name: ethaneperoxoic acid [2-[[2-acetyl-5-(2-quinolinylmethoxy)phenoxy]methyl]-6-methylphenyl] ester IUPAC Name: [2-[[2-acetyl-5-(quinolin-2-ylmethoxy)phenoxy]methyl]-6-methylphenyl] ethaneperoxoate Traditional Name: peracetic acid [2-[[2-acetyl-5-(2-quinolylmethoxy)phenoxy]methyl]-6-methyl-phenyl] ester Formula: C28H25NO6 MolecularWeight: 471.5012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=C(C=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)C)OOC(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=C(C=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)C)OOC(=O)C

InChI

InChI=1S/C28H25NO6/c1-18-7-6-9-22(28(18)35-34-20(3)31)16-33-27-15-24(13-14-25(27)19(2)30)32-17-23-12-11-21-8-4-5-10-26(21)29-23/h4-15H,16-17H2,1-3H3