[4-(4-pentoxyphenyl)phenyl] 3-fluoranyl-4-pentyl-benzoate

Systemtic Name: [4-(4-pentoxyphenyl)phenyl] 3-fluoranyl-4-pentyl-benzoate Openeye Name: [4-(4-pentoxyphenyl)phenyl] 3-fluoro-4-pentyl-benzoate CAS Name: 3-fluoro-4-pentylbenzoic acid [4-(4-pentoxyphenyl)phenyl] ester IUPAC Name: [4-(4-pentoxyphenyl)phenyl] 3-fluoro-4-pentylbenzoate Traditional Name: 4-amyl-3-fluoro-benzoic acid [4-(4-amoxyphenyl)phenyl] ester Formula: C29H33FO3 MolecularWeight: 448.568923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCC)F

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCC)F

InChI

InChI=1S/C29H33FO3/c1-3-5-7-9-24-10-11-25(21-28(24)30)29(31)33-27-18-14-23(15-19-27)22-12-16-26(17-13-22)32-20-8-6-4-2/h10-19,21H,3-9,20H2,1-2H3