ethyl 3-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]-4-fluoranyl-benzoate

Systemtic Name: ethyl 3-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]-4-fluoranyl-benzoate Openeye Name: ethyl 3-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]-4-fluoro-benzoate CAS Name: 3-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]-4-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]-4-fluorobenzoate Traditional Name: 3-[[4-[2-(4-butylphenyl)ethynyl]benzyl]amino]-4-fluoro-benzoic acid ethyl ester Formula: C28H28FNO2 MolecularWeight: 429.525823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28FNO2/c1-3-5-6-21-7-9-22(10-8-21)11-12-23-13-15-24(16-14-23)20-30-27-19-25(17-18-26(27)29)28(31)32-4-2/h7-10,13-19,30H,3-6,20H2,1-2H3