1-(4-tert-butylphenyl)-5-propyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-5-propyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-propyl-triazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-propyl-4-triazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-propyltriazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-propyl-triazole-4-carboxylic acid Formula: C16H21N3O2 MolecularWeight: 287.35684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=CC=C(C=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCC1=C(N=NN1C2=CC=C(C=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C16H21N3O2/c1-5-6-13-14(15(20)21)17-18-19(13)12-9-7-11(8-10-12)16(2,3)4/h7-10H,5-6H2,1-4H3,(H,20,21)