4-(4-pyridin-2-ylbut-3-ynylamino)benzoic acid

Systemtic Name: 4-(4-pyridin-2-ylbut-3-ynylamino)benzoic acid Openeye Name: 4-[4-(2-pyridyl)but-3-ynylamino]benzoic acid CAS Name: 4-[4-(2-pyridinyl)but-3-ynylamino]benzoic acid IUPAC Name: 4-(4-pyridin-2-ylbut-3-ynylamino)benzoic acid Traditional Name: 4-[4-(2-pyridyl)but-3-ynylamino]benzoic acid Formula: C16H14N2O2 MolecularWeight: 266.29456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CCCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C#CCCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H14N2O2/c19-16(20)13-7-9-15(10-8-13)18-12-4-2-6-14-5-1-3-11-17-14/h1,3,5,7-11,18H,4,12H2,(H,19,20)