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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

CC1(CCCCC1)C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C29H37N3O4/c1-28(8-3-2-4-9-28)27-31-23(17-36-29-14-18-10-19(15-29)12-20(11-18)16-29)24(32-27)25(33)30-22-7-5-6-21(13-22)26(34)35/h5-7,13,18-20H,2-4,8-12,14-17H2,1H3,(H,30,33)(H,31,32)(H,34,35)