2-(1-isoquinolin-5-yl-5-methyl-1,2,3-triazol-4-yl)ethanoic acid

Systemtic Name: 2-(1-isoquinolin-5-yl-5-methyl-1,2,3-triazol-4-yl)ethanoic acid Openeye Name: 2-[1-(5-isoquinolyl)-5-methyl-triazol-4-yl]acetic acid CAS Name: 2-[1-(5-isoquinolinyl)-5-methyl-4-triazolyl]acetic acid IUPAC Name: 2-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)acetic acid Traditional Name: 2-[1-(5-isoquinolyl)-5-methyl-triazol-4-yl]acetic acid Formula: C14H12N4O2 MolecularWeight: 268.27068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC=CC3=C2C=CN=C3)CC(=O)O

Isomeric SMILES

CC1=C(N=NN1C2=CC=CC3=C2C=CN=C3)CC(=O)O

InChI

InChI=1S/C14H12N4O2/c1-9-12(7-14(19)20)16-17-18(9)13-4-2-3-10-8-15-6-5-11(10)13/h2-6,8H,7H2,1H3,(H,19,20)