3-[5-[2-(1H-imidazol-5-yl)ethanoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[2-(1H-imidazol-5-yl)ethanoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[[2-(1H-imidazol-5-yl)acetyl]amino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[2-(1H-imidazol-5-yl)-1-oxoethyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[[2-(1H-imidazol-5-yl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[[2-(1H-imidazol-5-yl)acetyl]amino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)CC4=CN=CN4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)CC4=CN=CN4

InChI

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