[2-[[4-bromanyl-3-(quinolin-2-ylmethoxy)phenoxy]methyl]-6-methyl-phenyl] ethaneperoxoate

Systemtic Name: [2-[[4-bromanyl-3-(quinolin-2-ylmethoxy)phenoxy]methyl]-6-methyl-phenyl] ethaneperoxoate Openeye Name: [2-[[4-bromo-3-(2-quinolylmethoxy)phenoxy]methyl]-6-methyl-phenyl] peroxyacetate CAS Name: ethaneperoxoic acid [2-[[4-bromo-3-(2-quinolinylmethoxy)phenoxy]methyl]-6-methylphenyl] ester IUPAC Name: [2-[[4-bromo-3-(quinolin-2-ylmethoxy)phenoxy]methyl]-6-methylphenyl] ethaneperoxoate Traditional Name: peracetic acid [2-[[4-bromo-3-(2-quinolylmethoxy)phenoxy]methyl]-6-methyl-phenyl] ester Formula: C26H22BrNO5 MolecularWeight: 508.36058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22BrNO5/c1-17-6-5-8-20(26(17)33-32-18(2)29)15-30-22-12-13-23(27)25(14-22)31-16-21-11-10-19-7-3-4-9-24(19)28-21/h3-14H,15-16H2,1-2H3