5-(1-adamantyloxymethyl)-3-azanyl-2-cyclohept-4-en-1-yl-4-(1H-imidazol-5-ylcarbonyl)benzoic acid

Systemtic Name: 5-(1-adamantyloxymethyl)-3-azanyl-2-cyclohept-4-en-1-yl-4-(1H-imidazol-5-ylcarbonyl)benzoic acid Openeye Name: 5-(1-adamantyloxymethyl)-3-amino-2-cyclohept-4-en-1-yl-4-(1H-imidazole-5-carbonyl)benzoic acid CAS Name: 5-(1-adamantyloxymethyl)-3-amino-2-(1-cyclohept-4-enyl)-4-[1H-imidazol-5-yl(oxo)methyl]benzoic acid IUPAC Name: 5-(1-adamantyloxymethyl)-3-amino-2-cyclohept-4-en-1-yl-4-(1H-imidazole-5-carbonyl)benzoic acid Traditional Name: 5-(1-adamantyloxymethyl)-3-amino-2-cyclohept-4-en-1-yl-4-(1H-imidazole-5-carbonyl)benzoic acid Formula: C29H35N3O4 MolecularWeight: 489.6059

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC=C1)C2=C(C(=C(C=C2C(=O)O)COC34CC5CC(C3)CC(C5)C4)C(=O)C6=CN=CN6)N

Isomeric SMILES

C1CC(CCC=C1)C2=C(C(=C(C=C2C(=O)O)COC34CC5CC(C3)CC(C5)C4)C(=O)C6=CN=CN6)N

InChI

InChI=1S/C29H35N3O4/c30-26-24(20-5-3-1-2-4-6-20)22(28(34)35)10-21(25(26)27(33)23-14-31-16-32-23)15-36-29-11-17-7-18(12-29)9-19(8-17)13-29/h1-2,10,14,16-20H,3-9,11-13,15,30H2,(H,31,32)(H,34,35)