(1-cyano-2-methyl-propyl) 4-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]benzoate

Systemtic Name: (1-cyano-2-methyl-propyl) 4-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]benzoate Openeye Name: (1-cyano-2-methyl-propyl) 4-(2,3-difluoro-4-heptoxy-phenyl)benzoate CAS Name: 4-(2,3-difluoro-4-heptoxyphenyl)benzoic acid (1-cyano-2-methylpropyl) ester IUPAC Name: (1-cyano-2-methylpropyl) 4-(2,3-difluoro-4-heptoxyphenyl)benzoate Traditional Name: 4-(2,3-difluoro-4-heptoxy-phenyl)benzoic acid (1-cyano-2-methyl-propyl) ester Formula: C25H29F2NO3 MolecularWeight: 429.499466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29F2NO3/c1-4-5-6-7-8-15-30-21-14-13-20(23(26)24(21)27)18-9-11-19(12-10-18)25(29)31-22(16-28)17(2)3/h9-14,17,22H,4-8,15H2,1-3H3