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

Systemtic Name: 4-[1-(5-methyl-2-phenyl-1,2,3-triazol-4-yl)ethylamino]benzoic acid Openeye Name: 4-[1-(5-methyl-2-phenyl-triazol-4-yl)ethylamino]benzoic acid CAS Name: 4-[1-(5-methyl-2-phenyl-4-triazolyl)ethylamino]benzoic acid IUPAC Name: 4-[1-(5-methyl-2-phenyltriazol-4-yl)ethylamino]benzoic acid Traditional Name: 4-[1-(5-methyl-2-phenyl-triazol-4-yl)ethylamino]benzoic acid Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(C)NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(C)NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2/c1-12(19-15-10-8-14(9-11-15)18(23)24)17-13(2)20-22(21-17)16-6-4-3-5-7-16/h3-12,19H,1-2H3,(H,23,24)