(4-propylphenyl) 4-[2,3-bis(fluoranyl)-4-pentoxy-phenyl]benzoate

Systemtic Name: (4-propylphenyl) 4-[2,3-bis(fluoranyl)-4-pentoxy-phenyl]benzoate Openeye Name: (4-propylphenyl) 4-(2,3-difluoro-4-pentoxy-phenyl)benzoate CAS Name: 4-(2,3-difluoro-4-pentoxyphenyl)benzoic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 4-(2,3-difluoro-4-pentoxyphenyl)benzoate Traditional Name: 4-(4-amoxy-2,3-difluoro-phenyl)benzoic acid (4-propylphenyl) ester Formula: C27H28F2O3 MolecularWeight: 438.506226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC)F)F

Isomeric SMILES

CCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC)F)F

InChI

InChI=1S/C27H28F2O3/c1-3-5-6-18-31-24-17-16-23(25(28)26(24)29)20-10-12-21(13-11-20)27(30)32-22-14-8-19(7-4-2)9-15-22/h8-17H,3-7,18H2,1-2H3