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

Systemtic Name: [4-[4-cyano-2,3-bis(fluoranyl)phenoxy]carbonylphenyl] 4-butoxybenzoate Openeye Name: [4-(4-cyano-2,3-difluoro-phenoxy)carbonylphenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-[(4-cyano-2,3-difluorophenoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-cyano-2,3-difluorophenoxy)carbonylphenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-(4-cyano-2,3-difluoro-phenoxy)carbonylphenyl] ester Formula: C25H19F2NO5 MolecularWeight: 451.418866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C25H19F2NO5/c1-2-3-14-31-19-9-4-16(5-10-19)24(29)32-20-11-6-17(7-12-20)25(30)33-21-13-8-18(15-28)22(26)23(21)27/h4-13H,2-3,14H2,1H3