[2,3-bis(fluoranyl)-4-(4-heptoxyphenyl)phenyl] 2-cyano-2-methyl-hexanoate

Systemtic Name: [2,3-bis(fluoranyl)-4-(4-heptoxyphenyl)phenyl] 2-cyano-2-methyl-hexanoate Openeye Name: [2,3-difluoro-4-(4-heptoxyphenyl)phenyl] 2-cyano-2-methyl-hexanoate CAS Name: 2-cyano-2-methylhexanoic acid [2,3-difluoro-4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [2,3-difluoro-4-(4-heptoxyphenyl)phenyl] 2-cyano-2-methylhexanoate Traditional Name: 2-cyano-2-methyl-hexanoic acid [2,3-difluoro-4-(4-heptoxyphenyl)phenyl] ester Formula: C27H33F2NO3 MolecularWeight: 457.552626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)OC(=O)C(C)(CCCC)C#N)F)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)OC(=O)C(C)(CCCC)C#N)F)F

InChI

InChI=1S/C27H33F2NO3/c1-4-6-8-9-10-18-32-21-13-11-20(12-14-21)22-15-16-23(25(29)24(22)28)33-26(31)27(3,19-30)17-7-5-2/h11-16H,4-10,17-18H2,1-3H3