3-[[3-(benzimidazol-2-ylidene)-1,2-dihydroindazol-6-yl]carbonylamino]butanoic acid

Systemtic Name: 3-[[3-(benzimidazol-2-ylidene)-1,2-dihydroindazol-6-yl]carbonylamino]butanoic acid Openeye Name: 3-[[3-(benzimidazol-2-ylidene)-1,2-dihydroindazole-6-carbonyl]amino]butanoic acid CAS Name: 3-[[[3-(2-benzimidazolylidene)-1,2-dihydroindazol-6-yl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-[[3-(benzimidazol-2-ylidene)-1,2-dihydroindazole-6-carbonyl]amino]butanoic acid Traditional Name: 3-[[3-(benzimidazol-2-ylidene)indazoline-6-carbonyl]amino]butyric acid Formula: C19H17N5O3 MolecularWeight: 363.36998

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=CC2=C(C=C1)C(=C3N=C4C=CC=CC4=N3)NN2

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=CC2=C(C=C1)C(=C3N=C4C=CC=CC4=N3)NN2

InChI

InChI=1S/C19H17N5O3/c1-10(8-16(25)26)20-19(27)11-6-7-12-15(9-11)23-24-17(12)18-21-13-4-2-3-5-14(13)22-18/h2-7,9-10,23-24H,8H2,1H3,(H,20,27)(H,25,26)