4-[[[3-(3-bromanyl-3-phenyl-prop-1-ynyl)pyridin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3-(3-bromanyl-3-phenyl-prop-1-ynyl)pyridin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-(3-bromo-3-phenyl-prop-1-ynyl)pyridine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3-(3-bromo-3-phenylprop-1-ynyl)-4-pyridinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(3-bromo-3-phenylprop-1-ynyl)pyridine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-(3-bromo-3-phenyl-prop-1-ynyl)isonicotinoyl]amino]methyl]benzoic acid Formula: C23H17BrN2O3 MolecularWeight: 449.29668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrN2O3/c24-21(17-4-2-1-3-5-17)11-10-19-15-25-13-12-20(19)22(27)26-14-16-6-8-18(9-7-16)23(28)29/h1-9,12-13,15,21H,14H2,(H,26,27)(H,28,29)