2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]-4-pyrrol-1-yl-butanoic acid

Systemtic Name: 2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]-4-pyrrol-1-yl-butanoic acid Openeye Name: 2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]-4-pyrrol-1-yl-butanoic acid CAS Name: 2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]-4-(1-pyrrolyl)butanoic acid IUPAC Name: 2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]-4-pyrrol-1-ylbutanoic acid Traditional Name: 2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]-4-pyrrol-1-yl-butyric acid Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)CCC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

Isomeric SMILES

C1=CN(C=C1)CCC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C21H19N5O3/c27-20(25-17(21(28)29)7-12-26-10-1-2-11-26)15-3-4-16-18(13-15)24-19(23-16)14-5-8-22-9-6-14/h1-6,8-11,13,17H,7,12H2,(H,23,24)(H,25,27)(H,28,29)