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

Systemtic Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]butanedioic acid Openeye Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]butanedioic acid CAS Name: 2-[[[1-cyclohexyl-2-(2-phenyl-6-quinoxalinyl)-5-benzimidazolyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]butanedioic acid Traditional Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]succinic acid Formula: C32H29N5O5 MolecularWeight: 563.60316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O)N=C2C4=CC5=NC=C(N=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O)N=C2C4=CC5=NC=C(N=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C32H29N5O5/c38-29(39)17-26(32(41)42)36-31(40)21-12-14-28-25(16-21)35-30(37(28)22-9-5-2-6-10-22)20-11-13-23-24(15-20)33-18-27(34-23)19-7-3-1-4-8-19/h1,3-4,7-8,11-16,18,22,26H,2,5-6,9-10,17H2,(H,36,40)(H,38,39)(H,41,42)