methyl 3-(1H-imidazol-5-yl)-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-(1H-imidazol-5-yl)-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoate Openeye Name: methyl 3-(1H-imidazol-5-yl)-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-(1H-imidazol-5-yl)-2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-imidazol-5-yl)-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]propanoate Traditional Name: 3-(1H-imidazol-5-yl)-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C20H18N6O3/c1-29-20(28)17(9-14-10-22-11-23-14)26-19(27)13-2-3-15-16(8-13)25-18(24-15)12-4-6-21-7-5-12/h2-8,10-11,17H,9H2,1H3,(H,22,23)(H,24,25)(H,26,27)