[4-[4-cyano-2,3-bis(fluoranyl)phenoxy]carbonylphenyl] 4-butylbenzoate

Systemtic Name: [4-[4-cyano-2,3-bis(fluoranyl)phenoxy]carbonylphenyl] 4-butylbenzoate Openeye Name: [4-(4-cyano-2,3-difluoro-phenoxy)carbonylphenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-[(4-cyano-2,3-difluorophenoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-cyano-2,3-difluorophenoxy)carbonylphenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-(4-cyano-2,3-difluoro-phenoxy)carbonylphenyl] ester Formula: C25H19F2NO4 MolecularWeight: 435.419466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C25H19F2NO4/c1-2-3-4-16-5-7-17(8-6-16)24(29)31-20-12-9-18(10-13-20)25(30)32-21-14-11-19(15-28)22(26)23(21)27/h5-14H,2-4H2,1H3