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

Systemtic Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-naphthalen-2-yl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-(2-naphthyl)-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-[2-(1-adamantyl)ethyl]-2-(2-naphthalenyl)-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-naphthalen-2-yl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-(2-naphthyl)-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C33H33N3O3 MolecularWeight: 519.63342

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCC4=C(N=C(N4)C5=CC6=CC=CC=C6C=C5)C(=O)NC7=CC=CC(=C7)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCC4=C(N=C(N4)C5=CC6=CC=CC=C6C=C5)C(=O)NC7=CC=CC(=C7)C(=O)O

InChI

InChI=1S/C33H33N3O3/c37-31(34-27-7-3-6-26(16-27)32(38)39)29-28(10-11-33-17-20-12-21(18-33)14-22(13-20)19-33)35-30(36-29)25-9-8-23-4-1-2-5-24(23)15-25/h1-9,15-16,20-22H,10-14,17-19H2,(H,34,37)(H,35,36)(H,38,39)