octyl 4-phenyl-3-(1-pyridin-3-ylethyl)benzenecarboperoxoate

Systemtic Name: octyl 4-phenyl-3-(1-pyridin-3-ylethyl)benzenecarboperoxoate Openeye Name: octyl 4-phenyl-3-[1-(3-pyridyl)ethyl]benzenecarboperoxoate CAS Name: 4-phenyl-3-[1-(3-pyridinyl)ethyl]benzenecarboperoxoic acid octyl ester IUPAC Name: octyl 4-phenyl-3-(1-pyridin-3-ylethyl)benzenecarboperoxoate Traditional Name: 4-phenyl-3-[1-(3-pyridyl)ethyl]benzenecarboperoxoic acid octyl ester Formula: C28H33NO3 MolecularWeight: 431.56652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOOC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C(C)C3=CN=CC=C3

Isomeric SMILES

CCCCCCCCOOC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C(C)C3=CN=CC=C3

InChI

InChI=1S/C28H33NO3/c1-3-4-5-6-7-11-19-31-32-28(30)24-16-17-26(23-13-9-8-10-14-23)27(20-24)22(2)25-15-12-18-29-21-25/h8-10,12-18,20-22H,3-7,11,19H2,1-2H3