[2-(1-methylpyrrol-2-yl)-3-[4-(4-propylphenyl)phenyl]phenyl] 3-phenylpropaneperoxoate

Systemtic Name: [2-(1-methylpyrrol-2-yl)-3-[4-(4-propylphenyl)phenyl]phenyl] 3-phenylpropaneperoxoate Openeye Name: [2-(1-methylpyrrol-2-yl)-3-[4-(4-propylphenyl)phenyl]phenyl] 3-phenylpropaneperoxoate CAS Name: 3-phenylpropaneperoxoic acid [2-(1-methyl-2-pyrrolyl)-3-[4-(4-propylphenyl)phenyl]phenyl] ester IUPAC Name: [2-(1-methylpyrrol-2-yl)-3-[4-(4-propylphenyl)phenyl]phenyl] 3-phenylpropaneperoxoate Traditional Name: 3-phenylperoxypropionic acid [2-(1-methylpyrrol-2-yl)-3-[4-(4-propylphenyl)phenyl]phenyl] ester Formula: C35H33NO3 MolecularWeight: 515.64142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=CC=C3)OOC(=O)CCC4=CC=CC=C4)C5=CC=CN5C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=CC=C3)OOC(=O)CCC4=CC=CC=C4)C5=CC=CN5C

InChI

InChI=1S/C35H33NO3/c1-3-9-26-15-18-28(19-16-26)29-20-22-30(23-21-29)31-12-7-14-33(35(31)32-13-8-25-36(32)2)38-39-34(37)24-17-27-10-5-4-6-11-27/h4-8,10-16,18-23,25H,3,9,17,24H2,1-2H3