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

Systemtic Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazol-4-yl]carbonylamino]-4-azanyl-benzoic acid Openeye Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-4-amino-benzoic acid CAS Name: 3-[[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazol-4-yl]-oxomethyl]amino]-4-aminobenzoic acid IUPAC Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-4-aminobenzoic acid Traditional Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-4-amino-benzoic acid Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=C(C=CC(=C6)C(=O)O)N

Isomeric SMILES

C1CCC(CC1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=C(C=CC(=C6)C(=O)O)N

InChI

InChI=1S/C29H38N4O3/c30-22-7-6-21(28(35)36)13-24(22)32-27(34)25-23(31-26(33-25)20-4-2-1-3-5-20)8-9-29-14-17-10-18(15-29)12-19(11-17)16-29/h6-7,13,17-20H,1-5,8-12,14-16,30H2,(H,31,33)(H,32,34)(H,35,36)