(4-decoxyphenyl) 3-fluoranyl-4-[(2R)-2-fluoranyl-4-methyl-pentoxy]benzoate

Systemtic Name: (4-decoxyphenyl) 3-fluoranyl-4-[(2R)-2-fluoranyl-4-methyl-pentoxy]benzoate Openeye Name: (4-decoxyphenyl) 3-fluoro-4-[(2R)-2-fluoro-4-methyl-pentoxy]benzoate CAS Name: 3-fluoro-4-[(2R)-2-fluoro-4-methylpentoxy]benzoic acid (4-decoxyphenyl) ester IUPAC Name: (4-decoxyphenyl) 3-fluoro-4-[(2R)-2-fluoro-4-methylpentoxy]benzoate Traditional Name: 3-fluoro-4-[(2R)-2-fluoro-4-methyl-pentoxy]benzoic acid (4-decoxyphenyl) ester Formula: C29H40F2O4 MolecularWeight: 490.622306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OCC(CC(C)C)F)F

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC[C@@H](CC(C)C)F)F

InChI

InChI=1S/C29H40F2O4/c1-4-5-6-7-8-9-10-11-18-33-25-13-15-26(16-14-25)35-29(32)23-12-17-28(27(31)20-23)34-21-24(30)19-22(2)3/h12-17,20,22,24H,4-11,18-19,21H2,1-3H3/t24-/m1/s1