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

Systemtic Name: 3-[[5-(1-adamantyloxymethyl)-2H-1,2,3-triazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-(1-adamantyloxymethyl)-2H-triazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-(1-adamantyloxymethyl)-2H-triazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-(1-adamantyloxymethyl)-2H-triazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-(1-adamantyloxymethyl)-2H-triazole-4-carbonyl]amino]benzoic acid Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OCC4=NNN=C4C(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OCC4=NNN=C4C(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C21H24N4O4/c26-19(22-16-3-1-2-15(7-16)20(27)28)18-17(23-25-24-18)11-29-21-8-12-4-13(9-21)6-14(5-12)10-21/h1-3,7,12-14H,4-6,8-11H2,(H,22,26)(H,27,28)(H,23,24,25)