5-(1-adamantyloxymethyl)-3-cycloheptyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-(1-adamantyloxymethyl)-3-cycloheptyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-(1-adamantyloxymethyl)-3-cycloheptyl-triazole-4-carboxylic acid CAS Name: 5-(1-adamantyloxymethyl)-3-cycloheptyl-4-triazolecarboxylic acid IUPAC Name: 5-(1-adamantyloxymethyl)-3-cycloheptyltriazole-4-carboxylic acid Traditional Name: 5-(1-adamantyloxymethyl)-3-cycloheptyl-triazole-4-carboxylic acid Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C(=C(N=N2)COC34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

C1CCCC(CC1)N2C(=C(N=N2)COC34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C21H31N3O3/c25-20(26)19-18(22-23-24(19)17-5-3-1-2-4-6-17)13-27-21-10-14-7-15(11-21)9-16(8-14)12-21/h14-17H,1-13H2,(H,25,26)