3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoic acid

Systemtic Name: 3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoic acid Openeye Name: 3-[4-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid CAS Name: 3-[[1-oxo-4-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]butyl]amino]benzoic acid IUPAC Name: 3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoic acid Traditional Name: 3-[4-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCC2=NC(=NO2)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCC2=NC(=NO2)C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C18H16N4O4/c23-15(20-14-6-1-4-12(10-14)18(24)25)7-2-8-16-21-17(22-26-16)13-5-3-9-19-11-13/h1,3-6,9-11H,2,7-8H2,(H,20,23)(H,24,25)