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

Systemtic Name: ethyl 4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]benzoate Openeye Name: ethyl 4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]benzoate CAS Name: 4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]benzoate Traditional Name: 4-[[4-[2-(4-butylphenyl)ethynyl]benzyl]amino]benzoic acid ethyl ester Formula: C28H29NO2 MolecularWeight: 411.53536

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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)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO2/c1-3-5-6-22-7-9-23(10-8-22)11-12-24-13-15-25(16-14-24)21-29-27-19-17-26(18-20-27)28(30)31-4-2/h7-10,13-20,29H,3-6,21H2,1-2H3