4-cyano-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]butanoic acid

Systemtic Name: 4-cyano-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]butanoic acid Openeye Name: 4-cyano-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]butanoic acid CAS Name: 4-cyano-2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]butanoic acid IUPAC Name: 4-cyano-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]butanoic acid Traditional Name: 4-cyano-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]butyric acid Formula: C18H15N5O3 MolecularWeight: 349.3434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC(CCC#N)C(=O)O)NC(=N2)C3=CC=NC=C3

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NC(CCC#N)C(=O)O)NC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C18H15N5O3/c19-7-1-2-14(18(25)26)23-17(24)12-3-4-13-15(10-12)22-16(21-13)11-5-8-20-9-6-11/h3-6,8-10,14H,1-2H2,(H,21,22)(H,23,24)(H,25,26)