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

Systemtic Name: 2-[3-[5-(5-azanyl-1,3,4-oxadiazol-2-yl)furan-2-yl]butanoylamino]benzoic acid Openeye Name: 2-[3-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2-furyl]butanoylamino]benzoic acid CAS Name: 2-[[3-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2-furanyl]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-[3-[5-(5-amino-1,3,4-oxadiazol-2-yl)furan-2-yl]butanoylamino]benzoic acid Traditional Name: 2-[3-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2-furyl]butanoylamino]benzoic acid Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=C(O2)C3=NN=C(O3)N

Isomeric SMILES

CC(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=C(O2)C3=NN=C(O3)N

InChI

InChI=1S/C17H16N4O5/c1-9(12-6-7-13(25-12)15-20-21-17(18)26-15)8-14(22)19-11-5-3-2-4-10(11)16(23)24/h2-7,9H,8H2,1H3,(H2,18,21)(H,19,22)(H,23,24)