methyl 5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]-2-fluoro-benzoate CAS Name: 5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]-2-fluorobenzoate Traditional Name: 5-[[4-[2-(4-butylphenyl)ethynyl]benzyl]amino]-2-fluoro-benzoic acid methyl ester Formula: C27H26FNO2 MolecularWeight: 415.499243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)CNC3=CC(=C(C=C3)F)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)CNC3=CC(=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C27H26FNO2/c1-3-4-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)19-29-24-16-17-26(28)25(18-24)27(30)31-2/h6-9,12-18,29H,3-5,19H2,1-2H3