ethyl 4-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]amino]benzoate Openeye Name: ethyl 4-[(5-benzyl-1H-1,2,4-triazol-3-yl)amino]benzoate CAS Name: 4-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-benzyl-1H-1,2,4-triazol-3-yl)amino]benzoate Traditional Name: 4-[(5-benzyl-1H-1,2,4-triazol-3-yl)amino]benzoic acid ethyl ester Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NNC(=N2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NNC(=N2)CC3=CC=CC=C3

InChI

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