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

Systemtic Name: [4-[4-cyano-2,3-bis(fluoranyl)phenoxy]carbonylphenyl] 4-pentylbenzoate Openeye Name: [4-(4-cyano-2,3-difluoro-phenoxy)carbonylphenyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [4-[(4-cyano-2,3-difluorophenoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-cyano-2,3-difluorophenoxy)carbonylphenyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [4-(4-cyano-2,3-difluoro-phenoxy)carbonylphenyl] ester Formula: C26H21F2NO4 MolecularWeight: 449.446046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=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

CCCCCC1=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/C26H21F2NO4/c1-2-3-4-5-17-6-8-18(9-7-17)25(30)32-21-13-10-19(11-14-21)26(31)33-22-15-12-20(16-29)23(27)24(22)28/h6-15H,2-5H2,1H3