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

Systemtic Name: [4-[1-[2-[(4-butylcyclohexyl)methoxy]phenyl]-5-methyl-pyrrol-2-yl]phenyl] 3-phenylpropaneperoxoate Openeye Name: [4-[1-[2-[(4-butylcyclohexyl)methoxy]phenyl]-5-methyl-pyrrol-2-yl]phenyl] 3-phenylpropaneperoxoate CAS Name: 3-phenylpropaneperoxoic acid [4-[1-[2-[(4-butylcyclohexyl)methoxy]phenyl]-5-methyl-2-pyrrolyl]phenyl] ester IUPAC Name: [4-[1-[2-[(4-butylcyclohexyl)methoxy]phenyl]-5-methylpyrrol-2-yl]phenyl] 3-phenylpropaneperoxoate Traditional Name: 3-phenylperoxypropionic acid [4-[1-[2-[(4-butylcyclohexyl)methoxy]phenyl]-5-methyl-pyrrol-2-yl]phenyl] ester Formula: C37H43NO4 MolecularWeight: 565.74162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)COC2=CC=CC=C2N3C(=CC=C3C4=CC=C(C=C4)OOC(=O)CCC5=CC=CC=C5)C

Isomeric SMILES

CCCCC1CCC(CC1)COC2=CC=CC=C2N3C(=CC=C3C4=CC=C(C=C4)OOC(=O)CCC5=CC=CC=C5)C

InChI

InChI=1S/C37H43NO4/c1-3-4-10-30-16-18-31(19-17-30)27-40-36-14-9-8-13-35(36)38-28(2)15-25-34(38)32-21-23-33(24-22-32)41-42-37(39)26-20-29-11-6-5-7-12-29/h5-9,11-15,21-25,30-31H,3-4,10,16-20,26-27H2,1-2H3