2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-cyclohexyl-2-(2-phenyl-6-quinoxalinyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C31H29N5O3 MolecularWeight: 519.59366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC4=NC=C(N=C4C=C3)C5=CC=CC=C5)C6CCCCC6

Isomeric SMILES

CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC4=NC=C(N=C4C=C3)C5=CC=CC=C5)C6CCCCC6

InChI

InChI=1S/C31H29N5O3/c1-19(31(38)39)33-30(37)22-13-15-28-26(17-22)35-29(36(28)23-10-6-3-7-11-23)21-12-14-24-25(16-21)32-18-27(34-24)20-8-4-2-5-9-20/h2,4-5,8-9,12-19,23H,3,6-7,10-11H2,1H3,(H,33,37)(H,38,39)