4-[[2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[2-(2,4-dimethylphenyl)-5-methyl-4-triazolyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]-3-methyl-benzoic acid Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)C)C

InChI

InChI=1S/C20H20N4O3/c1-11-5-8-17(13(3)9-11)24-22-14(4)18(23-24)19(25)21-16-7-6-15(20(26)27)10-12(16)2/h5-10H,1-4H3,(H,21,25)(H,26,27)