4-[2-[2-(4-azanyl-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanoylamino]-2-ethyl-benzoic acid

Systemtic Name: 4-[2-[2-(4-azanyl-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanoylamino]-2-ethyl-benzoic acid Openeye Name: 4-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]-2-ethyl-benzoic acid CAS Name: 4-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-benzimidazolyl]-1-oxoethyl]amino]-2-ethylbenzoic acid IUPAC Name: 4-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]-2-ethylbenzoic acid Traditional Name: 4-[[2-[2-(4-aminofurazan-3-yl)benzimidazol-1-yl]acetyl]amino]-2-ethyl-benzoic acid Formula: C20H18N6O4 MolecularWeight: 406.39472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N)C(=O)O

InChI

InChI=1S/C20H18N6O4/c1-2-11-9-12(7-8-13(11)20(28)29)22-16(27)10-26-15-6-4-3-5-14(15)23-19(26)17-18(21)25-30-24-17/h3-9H,2,10H2,1H3,(H2,21,25)(H,22,27)(H,28,29)