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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCC4=C(N=C(N4)C5=CC=CC6=CC=CC=C65)C(=O)NC7=CC=CC(=C7)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCC4=C(N=C(N4)C5=CC=CC6=CC=CC=C65)C(=O)NC7=CC=CC(=C7)C(=O)O

InChI

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