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

Systemtic Name: 3-[[5-(1-adamantylmethoxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-(1-adamantylmethoxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-(1-adamantylmethoxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-(1-adamantylmethoxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-(1-adamantylmethoxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C29H37N3O4 MolecularWeight: 491.62178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=C(N2)COCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=C(N2)COCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C29H37N3O4/c33-27(30-23-8-4-7-22(12-23)28(34)35)25-24(31-26(32-25)21-5-2-1-3-6-21)16-36-17-29-13-18-9-19(14-29)11-20(10-18)15-29/h4,7-8,12,18-21H,1-3,5-6,9-11,13-17H2,(H,30,33)(H,31,32)(H,34,35)