[4-(2-fluoranyl-4-propoxy-phenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate

Systemtic Name: [4-(2-fluoranyl-4-propoxy-phenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: [4-(2-fluoro-4-propoxy-phenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-pentyl-1,3-dioxane-5-carboxylic acid [4-(2-fluoro-4-propoxyphenyl)phenyl] ester IUPAC Name: [4-(2-fluoro-4-propoxyphenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-1,3-dioxane-5-carboxylic acid [4-(2-fluoro-4-propoxy-phenyl)phenyl] ester Formula: C25H31FO5 MolecularWeight: 430.509043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1OCC(CO1)C(=O)OC2=CC=C(C=C2)C3=C(C=C(C=C3)OCCC)F

Isomeric SMILES

CCCCCC1OCC(CO1)C(=O)OC2=CC=C(C=C2)C3=C(C=C(C=C3)OCCC)F

InChI

InChI=1S/C25H31FO5/c1-3-5-6-7-24-29-16-19(17-30-24)25(27)31-20-10-8-18(9-11-20)22-13-12-21(15-23(22)26)28-14-4-2/h8-13,15,19,24H,3-7,14,16-17H2,1-2H3