4-[[[3-(2-phenylethynyl)pyridin-2-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3-(2-phenylethynyl)pyridin-2-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-(2-phenylethynyl)pyridine-2-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[3-(2-phenylethynyl)-2-pyridinyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(2-phenylethynyl)pyridine-2-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-(2-phenylethynyl)picolinoyl]amino]methyl]benzoic acid Formula: C22H16N2O3 MolecularWeight: 356.37404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=C(N=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=C(N=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H16N2O3/c25-21(24-15-17-9-12-19(13-10-17)22(26)27)20-18(7-4-14-23-20)11-8-16-5-2-1-3-6-16/h1-7,9-10,12-14H,15H2,(H,24,25)(H,26,27)