heptyl 3-(1-cyano-2-methyl-propyl)-2-fluoranyl-4-(2-fluorophenyl)benzenecarboperoxoate

Systemtic Name: heptyl 3-(1-cyano-2-methyl-propyl)-2-fluoranyl-4-(2-fluorophenyl)benzenecarboperoxoate Openeye Name: heptyl 3-(1-cyano-2-methyl-propyl)-2-fluoro-4-(2-fluorophenyl)benzenecarboperoxoate CAS Name: 3-(1-cyano-2-methylpropyl)-2-fluoro-4-(2-fluorophenyl)benzenecarboperoxoic acid heptyl ester IUPAC Name: heptyl 3-(1-cyano-2-methylpropyl)-2-fluoro-4-(2-fluorophenyl)benzenecarboperoxoate Traditional Name: 3-(1-cyano-2-methyl-propyl)-2-fluoro-4-(2-fluorophenyl)benzenecarboperoxoic acid heptyl ester Formula: C25H29F2NO3 MolecularWeight: 429.499466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOOC(=O)C1=C(C(=C(C=C1)C2=CC=CC=C2F)C(C#N)C(C)C)F

Isomeric SMILES

CCCCCCCOOC(=O)C1=C(C(=C(C=C1)C2=CC=CC=C2F)C(C#N)C(C)C)F

InChI

InChI=1S/C25H29F2NO3/c1-4-5-6-7-10-15-30-31-25(29)20-14-13-19(18-11-8-9-12-22(18)26)23(24(20)27)21(16-28)17(2)3/h8-9,11-14,17,21H,4-7,10,15H2,1-3H3