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

Systemtic Name: 4-(1-adamantyloxymethyl)-3-cycloheptyl-1,2-dihydro-1,2,3-triazole-5-carboxylic acid Openeye Name: 4-(1-adamantyloxymethyl)-3-cycloheptyl-1,2-dihydrotriazole-5-carboxylic acid CAS Name: 4-(1-adamantyloxymethyl)-3-cycloheptyl-1,2-dihydrotriazole-5-carboxylic acid IUPAC Name: 4-(1-adamantyloxymethyl)-3-cycloheptyl-1,2-dihydrotriazole-5-carboxylic acid Traditional Name: 4-(1-adamantyloxymethyl)-3-cycloheptyl-1,2-dihydrotriazole-5-carboxylic acid Formula: C21H33N3O3 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C(=C(NN2)C(=O)O)COC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCCC(CC1)N2C(=C(NN2)C(=O)O)COC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H33N3O3/c25-20(26)19-18(24(23-22-19)17-5-3-1-2-4-6-17)13-27-21-10-14-7-15(11-21)9-16(8-14)12-21/h14-17,22-23H,1-13H2,(H,25,26)