2-[2-[(3-cyanophenyl)-pyridin-4-yl-methyl]pyridin-4-yl]oxy-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-[(3-cyanophenyl)-pyridin-4-yl-methyl]pyridin-4-yl]oxy-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[2-[(3-cyanophenyl)-(4-pyridyl)methyl]-4-pyridyl]oxy]-2-oxo-acetic acid CAS Name: 2-[[2-[(3-cyanophenyl)-pyridin-4-ylmethyl]-4-pyridinyl]oxy]-2-oxoacetic acid IUPAC Name: 2-[2-[(3-cyanophenyl)-pyridin-4-ylmethyl]pyridin-4-yl]oxy-2-oxoacetic acid Traditional Name: 2-[[2-[(3-cyanophenyl)-(4-pyridyl)methyl]-4-pyridyl]oxy]-2-keto-acetic acid Formula: C20H13N3O4 MolecularWeight: 359.33492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(C2=CC=NC=C2)C3=NC=CC(=C3)OC(=O)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(C2=CC=NC=C2)C3=NC=CC(=C3)OC(=O)C(=O)O)C#N

InChI

InChI=1S/C20H13N3O4/c21-12-13-2-1-3-15(10-13)18(14-4-7-22-8-5-14)17-11-16(6-9-23-17)27-20(26)19(24)25/h1-11,18H,(H,24,25)