[4-(4-pentylphenyl)phenyl] 3-fluoranyl-4-pentoxy-benzoate

Systemtic Name: [4-(4-pentylphenyl)phenyl] 3-fluoranyl-4-pentoxy-benzoate Openeye Name: [4-(4-pentylphenyl)phenyl] 3-fluoro-4-pentoxy-benzoate CAS Name: 3-fluoro-4-pentoxybenzoic acid [4-(4-pentylphenyl)phenyl] ester IUPAC Name: [4-(4-pentylphenyl)phenyl] 3-fluoro-4-pentoxybenzoate Traditional Name: 4-amoxy-3-fluoro-benzoic acid [4-(4-amylphenyl)phenyl] ester Formula: C29H33FO3 MolecularWeight: 448.568923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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