2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-pyridin-4-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-pyridin-4-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-4-pyridyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(3Z)-3-[6-(1-imidazolyl)-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]-2-oxo-4-pyridinyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxopyridin-4-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-keto-4-pyridyl]amino]-3-phenyl-propionic acid Formula: C25H22N6O3 MolecularWeight: 454.48058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)NC(CC4=CC=CC=C4)C(=O)O)N2)N5C=CN=C5

Isomeric SMILES

CC1=CC(=CC2=C1N/C(=C\3/C(=CC=NC3=O)NC(CC4=CC=CC=C4)C(=O)O)/N2)N5C=CN=C5

InChI

InChI=1S/C25H22N6O3/c1-15-11-17(31-10-9-26-14-31)13-19-22(15)30-23(29-19)21-18(7-8-27-24(21)32)28-20(25(33)34)12-16-5-3-2-4-6-16/h2-11,13-14,20,28-30H,12H2,1H3,(H,33,34)/b23-21-