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

Systemtic Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[1-cyclohexyl-2-(2-phenyl-6-quinoxalinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C43H37N5O3 MolecularWeight: 671.78558

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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)C5=CC=CC=C5)C(=O)O)N=C2C6=CC7=NC=C(N=C7C=C6)C8=CC=CC=C8

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)O)N=C2C6=CC7=NC=C(N=C7C=C6)C8=CC=CC=C8

InChI

InChI=1S/C43H37N5O3/c49-42(47-38(43(50)51)24-28-16-18-30(19-17-28)29-10-4-1-5-11-29)33-21-23-40-37(26-33)46-41(48(40)34-14-8-3-9-15-34)32-20-22-35-36(25-32)44-27-39(45-35)31-12-6-2-7-13-31/h1-2,4-7,10-13,16-23,25-27,34,38H,3,8-9,14-15,24H2,(H,47,49)(H,50,51)