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

Systemtic Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclopropyl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclopropyl-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-[2-(1-adamantyl)ethyl]-2-cyclopropyl-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclopropyl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclopropyl-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1CC1C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C26H31N3O3/c30-24(27-20-3-1-2-19(11-20)25(31)32)22-21(28-23(29-22)18-4-5-18)6-7-26-12-15-8-16(13-26)10-17(9-15)14-26/h1-3,11,15-18H,4-10,12-14H2,(H,27,30)(H,28,29)(H,31,32)