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

Systemtic Name: 2-[3-[[5-(1-adamantyloxymethyl)-2-cycloheptyl-1H-imidazol-4-yl]carbonylamino]phenyl]ethanoic acid Openeye Name: 2-[3-[[5-(1-adamantyloxymethyl)-2-cycloheptyl-1H-imidazole-4-carbonyl]amino]phenyl]acetic acid CAS Name: 2-[3-[[[5-(1-adamantyloxymethyl)-2-cycloheptyl-1H-imidazol-4-yl]-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-[[5-(1-adamantyloxymethyl)-2-cycloheptyl-1H-imidazole-4-carbonyl]amino]phenyl]acetic acid Traditional Name: 2-[3-[[5-(1-adamantyloxymethyl)-2-cycloheptyl-1H-imidazole-4-carbonyl]amino]phenyl]acetic acid Formula: C30H39N3O4 MolecularWeight: 505.64836

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C30H39N3O4/c34-26(35)14-19-6-5-9-24(13-19)31-29(36)27-25(32-28(33-27)23-7-3-1-2-4-8-23)18-37-30-15-20-10-21(16-30)12-22(11-20)17-30/h5-6,9,13,20-23H,1-4,7-8,10-12,14-18H2,(H,31,36)(H,32,33)(H,34,35)