2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[[1-cyclohexyl-2-(2-phenyl-6-quinoxalinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C37H33N5O4 MolecularWeight: 611.68902

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C37H33N5O4/c43-28-15-11-23(12-16-28)19-32(37(45)46)41-36(44)26-14-18-34-31(21-26)40-35(42(34)27-9-5-2-6-10-27)25-13-17-29-30(20-25)38-22-33(39-29)24-7-3-1-4-8-24/h1,3-4,7-8,11-18,20-22,27,32,43H,2,5-6,9-10,19H2,(H,41,44)(H,45,46)