3-[[5-[2-(1-adamantyl)ethyl]-2-cycloheptyl-1H-imidazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cycloheptyl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cycloheptyl-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-[2-(1-adamantyl)ethyl]-2-cycloheptyl-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cycloheptyl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cycloheptyl-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C30H39N3O3 MolecularWeight: 489.64896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1CCCC(CC1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C30H39N3O3/c34-28(31-24-9-5-8-23(15-24)29(35)36)26-25(32-27(33-26)22-6-3-1-2-4-7-22)10-11-30-16-19-12-20(17-30)14-21(13-19)18-30/h5,8-9,15,19-22H,1-4,6-7,10-14,16-18H2,(H,31,34)(H,32,33)(H,35,36)