2-[3-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]carbonylamino]phenyl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)CC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)CC(=O)O

InChI

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