[4-[1-(4-bromophenyl)-5-propyl-pyrrol-2-yl]phenyl] 3-phenylpropaneperoxoate

Systemtic Name: [4-[1-(4-bromophenyl)-5-propyl-pyrrol-2-yl]phenyl] 3-phenylpropaneperoxoate Openeye Name: [4-[1-(4-bromophenyl)-5-propyl-pyrrol-2-yl]phenyl] 3-phenylpropaneperoxoate CAS Name: 3-phenylpropaneperoxoic acid [4-[1-(4-bromophenyl)-5-propyl-2-pyrrolyl]phenyl] ester IUPAC Name: [4-[1-(4-bromophenyl)-5-propylpyrrol-2-yl]phenyl] 3-phenylpropaneperoxoate Traditional Name: 3-phenylperoxypropionic acid [4-[1-(4-bromophenyl)-5-propyl-pyrrol-2-yl]phenyl] ester Formula: C28H26BrNO3 MolecularWeight: 504.41494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OOC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OOC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H26BrNO3/c1-2-6-24-16-19-27(30(24)25-14-12-23(29)13-15-25)22-10-17-26(18-11-22)32-33-28(31)20-9-21-7-4-3-5-8-21/h3-5,7-8,10-19H,2,6,9,20H2,1H3