methyl 2-methoxy-5-[[3-(1,2,4-triazol-1-yl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[3-(1,2,4-triazol-1-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[3-(1,2,4-triazol-1-yl)propanoylamino]methyl]benzoate CAS Name: 2-methoxy-5-[[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[3-(1,2,4-triazol-1-yl)propanoylamino]methyl]benzoate Traditional Name: 2-methoxy-5-[[3-(1,2,4-triazol-1-yl)propanoylamino]methyl]benzoic acid methyl ester Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCN2C=NC=N2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCN2C=NC=N2)C(=O)OC

InChI

InChI=1S/C15H18N4O4/c1-22-13-4-3-11(7-12(13)15(21)23-2)8-17-14(20)5-6-19-10-16-9-18-19/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,17,20)