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

Systemtic Name: 1-[5-[(3-azanyl-5-tert-butyl-phenyl)-methoxy-carbamoyl]-2-methyl-phenyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[5-[(3-amino-5-tert-butyl-phenyl)-methoxy-carbamoyl]-2-methyl-phenyl]triazole-4-carboxylic acid CAS Name: 1-[5-[(3-amino-5-tert-butyl-N-methoxyanilino)-oxomethyl]-2-methylphenyl]-4-triazolecarboxylic acid IUPAC Name: 1-[5-[(3-amino-5-tert-butylphenyl)-methoxycarbamoyl]-2-methylphenyl]triazole-4-carboxylic acid Traditional Name: 1-[5-[(3-amino-5-tert-butyl-phenyl)-methoxy-carbamoyl]-2-methyl-phenyl]triazole-4-carboxylic acid Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H25N5O4/c1-13-6-7-14(8-19(13)26-12-18(21(29)30)24-25-26)20(28)27(31-5)17-10-15(22(2,3)4)9-16(23)11-17/h6-12H,23H2,1-5H3,(H,29,30)