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

Systemtic Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazol-4-yl]carbonylamino]-2-methyl-benzoic acid Openeye Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-(2-piperidyl)-1H-imidazole-4-carbonyl]amino]-2-methyl-benzoic acid CAS Name: 5-[[[5-[2-(1-adamantyl)ethyl]-2-(2-piperidinyl)-1H-imidazol-4-yl]-oxomethyl]amino]-2-methylbenzoic acid IUPAC Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carbonyl]amino]-2-methylbenzoic acid Traditional Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-(2-piperidyl)-1H-imidazole-4-carbonyl]amino]-2-methyl-benzoic acid Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=N2)C3CCCCN3)CCC45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=N2)C3CCCCN3)CCC45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C29H38N4O3/c1-17-5-6-21(13-22(17)28(35)36)31-27(34)25-23(32-26(33-25)24-4-2-3-9-30-24)7-8-29-14-18-10-19(15-29)12-20(11-18)16-29/h5-6,13,18-20,24,30H,2-4,7-12,14-16H2,1H3,(H,31,34)(H,32,33)(H,35,36)