(4-chlorophenyl) 4-(4-pyridin-2-ylbut-3-ynylamino)benzoate

Systemtic Name: (4-chlorophenyl) 4-(4-pyridin-2-ylbut-3-ynylamino)benzoate Openeye Name: (4-chlorophenyl) 4-[4-(2-pyridyl)but-3-ynylamino]benzoate CAS Name: 4-[4-(2-pyridinyl)but-3-ynylamino]benzoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 4-(4-pyridin-2-ylbut-3-ynylamino)benzoate Traditional Name: 4-[4-(2-pyridyl)but-3-ynylamino]benzoic acid (4-chlorophenyl) ester Formula: C22H17ClN2O2 MolecularWeight: 376.83558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CCCNC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=NC(=C1)C#CCCNC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H17ClN2O2/c23-18-9-13-21(14-10-18)27-22(26)17-7-11-20(12-8-17)25-16-4-2-6-19-5-1-3-15-24-19/h1,3,5,7-15,25H,4,16H2