2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-cyclohexyl-2-(2-phenyl-6-quinoxalinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-phenyl-propionic acid Formula: C37H33N5O3 MolecularWeight: 595.68962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O)N=C2C5=CC6=NC=C(N=C6C=C5)C7=CC=CC=C7

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O)N=C2C5=CC6=NC=C(N=C6C=C5)C7=CC=CC=C7

InChI

InChI=1S/C37H33N5O3/c43-36(41-32(37(44)45)20-24-10-4-1-5-11-24)27-17-19-34-31(22-27)40-35(42(34)28-14-8-3-9-15-28)26-16-18-29-30(21-26)38-23-33(39-29)25-12-6-2-7-13-25/h1-2,4-7,10-13,16-19,21-23,28,32H,3,8-9,14-15,20H2,(H,41,43)(H,44,45)