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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1CCCC(CC1)C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C29H37N3O4/c33-27(30-23-9-5-8-22(13-23)28(34)35)25-24(31-26(32-25)21-6-3-1-2-4-7-21)17-36-29-14-18-10-19(15-29)12-20(11-18)16-29/h5,8-9,13,18-21H,1-4,6-7,10-12,14-17H2,(H,30,33)(H,31,32)(H,34,35)