[4-[5-methyl-1-(phenylmethyl)pyrrol-2-yl]phenyl] 3-phenylpropaneperoxoate

Systemtic Name: [4-[5-methyl-1-(phenylmethyl)pyrrol-2-yl]phenyl] 3-phenylpropaneperoxoate Openeye Name: [4-(1-benzyl-5-methyl-pyrrol-2-yl)phenyl] 3-phenylpropaneperoxoate CAS Name: 3-phenylpropaneperoxoic acid [4-[5-methyl-1-(phenylmethyl)-2-pyrrolyl]phenyl] ester IUPAC Name: [4-(1-benzyl-5-methylpyrrol-2-yl)phenyl] 3-phenylpropaneperoxoate Traditional Name: 3-phenylperoxypropionic acid [4-(1-benzyl-5-methyl-pyrrol-2-yl)phenyl] ester Formula: C27H25NO3 MolecularWeight: 411.4923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)OOC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)OOC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H25NO3/c1-21-12-18-26(28(21)20-23-10-6-3-7-11-23)24-14-16-25(17-15-24)30-31-27(29)19-13-22-8-4-2-5-9-22/h2-12,14-18H,13,19-20H2,1H3