methyl 4-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)methylamino]benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1CNC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1CNC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2/c1-13-17(21-22(20-13)16-6-4-3-5-7-16)12-19-15-10-8-14(9-11-15)18(23)24-2/h3-11,19H,12H2,1-2H3