1-[5-[(3-tert-butylphenyl)-methoxy-carbamoyl]-2-methyl-phenyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[5-[(3-tert-butylphenyl)-methoxy-carbamoyl]-2-methyl-phenyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[5-[(3-tert-butylphenyl)-methoxy-carbamoyl]-2-methyl-phenyl]triazole-4-carboxylic acid CAS Name: 1-[5-[(3-tert-butyl-N-methoxyanilino)-oxomethyl]-2-methylphenyl]-4-triazolecarboxylic acid IUPAC Name: 1-[5-[(3-tert-butylphenyl)-methoxycarbamoyl]-2-methylphenyl]triazole-4-carboxylic acid Traditional Name: 1-[5-[(3-tert-butylphenyl)-methoxy-carbamoyl]-2-methyl-phenyl]triazole-4-carboxylic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(C2=CC=CC(=C2)C(C)(C)C)OC)N3C=C(N=N3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(C2=CC=CC(=C2)C(C)(C)C)OC)N3C=C(N=N3)C(=O)O

InChI

InChI=1S/C22H24N4O4/c1-14-9-10-15(11-19(14)25-13-18(21(28)29)23-24-25)20(27)26(30-5)17-8-6-7-16(12-17)22(2,3)4/h6-13H,1-5H3,(H,28,29)