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

Systemtic Name: 3-[4-(4-pyridin-2-ylbut-3-ynylamino)phenyl]prop-2-ynoic acid Openeye Name: 3-[4-[4-(2-pyridyl)but-3-ynylamino]phenyl]prop-2-ynoic acid CAS Name: 3-[4-[4-(2-pyridinyl)but-3-ynylamino]phenyl]-2-propynoic acid IUPAC Name: 3-[4-(4-pyridin-2-ylbut-3-ynylamino)phenyl]prop-2-ynoic acid Traditional Name: 3-[4-[4-(2-pyridyl)but-3-ynylamino]phenyl]propiolic acid Formula: C18H14N2O2 MolecularWeight: 290.31596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O2/c21-18(22)12-9-15-7-10-17(11-8-15)20-14-4-2-6-16-5-1-3-13-19-16/h1,3,5,7-8,10-11,13,20H,4,14H2,(H,21,22)