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

Systemtic Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazol-4-yl]carbonylamino]-2-methyl-benzoic acid Openeye Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carbonyl]amino]-2-methyl-benzoic acid CAS Name: 5-[[[5-[2-(1-adamantyl)ethyl]-2-(2-pyrrolidinyl)-1H-imidazol-4-yl]-oxomethyl]amino]-2-methylbenzoic acid IUPAC Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carbonyl]amino]-2-methylbenzoic acid Traditional Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carbonyl]amino]-2-methyl-benzoic acid Formula: C28H36N4O3 MolecularWeight: 476.61044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=N2)C3CCCN3)CCC45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=N2)C3CCCN3)CCC45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C28H36N4O3/c1-16-4-5-20(12-21(16)27(34)35)30-26(33)24-22(31-25(32-24)23-3-2-8-29-23)6-7-28-13-17-9-18(14-28)11-19(10-17)15-28/h4-5,12,17-19,23,29H,2-3,6-11,13-15H2,1H3,(H,30,33)(H,31,32)(H,34,35)