ethanedioic acid; 2-phenyl-N-[(2-phenyl-1,2,3-triazol-4-yl)methyl]ethanamine

Systemtic Name: ethanedioic acid; 2-phenyl-N-[(2-phenyl-1,2,3-triazol-4-yl)methyl]ethanamine Openeye Name: oxalic acid; 2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]ethanamine CAS Name: oxalic acid; 2-phenyl-N-[(2-phenyl-4-triazolyl)methyl]ethanamine IUPAC Name: oxalic acid; 2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]ethanamine Traditional Name: oxalic acid; phenethyl-[(2-phenyltriazol-4-yl)methyl]amine Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC2=NN(N=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCC2=NN(N=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18N4.C2H2O4/c1-3-7-15(8-4-1)11-12-18-13-16-14-19-21(20-16)17-9-5-2-6-10-17;3-1(4)2(5)6/h1-10,14,18H,11-13H2;(H,3,4)(H,5,6)