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

Systemtic Name: 3-[[1-cyclohexyl-2-(3-phenylquinolin-6-yl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-cyclohexyl-2-(3-phenyl-6-quinolyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-cyclohexyl-2-(3-phenyl-6-quinolinyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-cyclohexyl-2-(3-phenylquinolin-6-yl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-cyclohexyl-2-(3-phenyl-6-quinolyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C32H30N4O3 MolecularWeight: 518.6056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H30N4O3/c37-30(38)15-16-33-32(39)23-12-14-29-28(19-23)35-31(36(29)26-9-5-2-6-10-26)22-11-13-27-24(17-22)18-25(20-34-27)21-7-3-1-4-8-21/h1,3-4,7-8,11-14,17-20,26H,2,5-6,9-10,15-16H2,(H,33,39)(H,37,38)