3-[[5-(1-adamantyloxymethyl)-2-(2-cyanophenyl)-1H-imidazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[5-(1-adamantyloxymethyl)-2-(2-cyanophenyl)-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-(1-adamantyloxymethyl)-2-(2-cyanophenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-(1-adamantyloxymethyl)-2-(2-cyanophenyl)-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-(1-adamantyloxymethyl)-2-(2-cyanophenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-(1-adamantyloxymethyl)-2-(2-cyanophenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C29H28N4O4 MolecularWeight: 496.55702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OCC4=C(N=C(N4)C5=CC=CC=C5C#N)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OCC4=C(N=C(N4)C5=CC=CC=C5C#N)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C29H28N4O4/c30-15-21-4-1-2-7-23(21)26-32-24(16-37-29-12-17-8-18(13-29)10-19(9-17)14-29)25(33-26)27(34)31-22-6-3-5-20(11-22)28(35)36/h1-7,11,17-19H,8-10,12-14,16H2,(H,31,34)(H,32,33)(H,35,36)