2-[(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]propanedioic acid

Systemtic Name: 2-[(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]propanedioic acid Openeye Name: 2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]propanedioic acid CAS Name: 2-[[[1-cyclohexyl-2-(2-pyridinyl)-5-benzimidazolyl]-oxomethyl]amino]propanedioic acid IUPAC Name: 2-[(1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carbonyl)amino]propanedioic acid Traditional Name: 2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]malonic acid Formula: C22H22N4O5 MolecularWeight: 422.43388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(C(=O)O)C(=O)O)N=C2C4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(C(=O)O)C(=O)O)N=C2C4=CC=CC=N4

InChI

InChI=1S/C22H22N4O5/c27-20(25-18(21(28)29)22(30)31)13-9-10-17-16(12-13)24-19(15-8-4-5-11-23-15)26(17)14-6-2-1-3-7-14/h4-5,8-12,14,18H,1-3,6-7H2,(H,25,27)(H,28,29)(H,30,31)