5-(2-azanyl-5-methyl-phenyl)carbonyl-1-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-(2-azanyl-5-methyl-phenyl)carbonyl-1-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-(2-amino-5-methyl-benzoyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid CAS Name: 5-[(2-amino-5-methylphenyl)-oxomethyl]-1-[(4-methoxyphenyl)methyl]-4-triazolecarboxylic acid IUPAC Name: 5-(2-amino-5-methylbenzoyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid Traditional Name: 5-(2-amino-5-methyl-benzoyl)-1-p-anisyl-triazole-4-carboxylic acid Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N)C(=O)C2=C(N=NN2CC3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N)C(=O)C2=C(N=NN2CC3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C19H18N4O4/c1-11-3-8-15(20)14(9-11)18(24)17-16(19(25)26)21-22-23(17)10-12-4-6-13(27-2)7-5-12/h3-9H,10,20H2,1-2H3,(H,25,26)