5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexyl-amino]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexyl-amino]-2-fluoranyl-benzoic acid Openeye Name: 5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexyl-amino]-2-fluoro-benzoic acid CAS Name: 5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexylamino]-2-fluorobenzoic acid IUPAC Name: 5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexylamino]-2-fluorobenzoic acid Traditional Name: 5-[[4-[2-(4-butylphenyl)ethynyl]benzyl]-hexyl-amino]-2-fluoro-benzoic acid Formula: C32H36FNO2 MolecularWeight: 485.632143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)CCCC)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

CCCCCCN(CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)CCCC)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C32H36FNO2/c1-3-5-7-8-22-34(29-20-21-31(33)30(23-29)32(35)36)24-28-18-16-27(17-19-28)15-14-26-12-10-25(11-13-26)9-6-4-2/h10-13,16-21,23H,3-9,22,24H2,1-2H3,(H,35,36)