2-[4-(4-pyridin-2-ylbut-3-ynylamino)phenyl]ethanoic acid

Systemtic Name: 2-[4-(4-pyridin-2-ylbut-3-ynylamino)phenyl]ethanoic acid Openeye Name: 2-[4-[4-(2-pyridyl)but-3-ynylamino]phenyl]acetic acid CAS Name: 2-[4-[4-(2-pyridinyl)but-3-ynylamino]phenyl]acetic acid IUPAC Name: 2-[4-(4-pyridin-2-ylbut-3-ynylamino)phenyl]acetic acid Traditional Name: 2-[4-[4-(2-pyridyl)but-3-ynylamino]phenyl]acetic acid Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O2/c20-17(21)13-14-7-9-16(10-8-14)19-12-4-2-6-15-5-1-3-11-18-15/h1,3,5,7-11,19H,4,12-13H2,(H,20,21)