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

Systemtic Name: 5-(2-azanyl-3-methyl-phenyl)carbonyl-1-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-(2-amino-3-methyl-benzoyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid CAS Name: 5-[(2-amino-3-methylphenyl)-oxomethyl]-1-[(4-methoxyphenyl)methyl]-4-triazolecarboxylic acid IUPAC Name: 5-(2-amino-3-methylbenzoyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid Traditional Name: 5-(2-amino-3-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=CC(=C1N)C(=O)C2=C(N=NN2CC3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)C2=C(N=NN2CC3=CC=C(C=C3)OC)C(=O)O

InChI

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