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

Systemtic Name: methyl 4-[2-[3-(1,2,4-triazol-1-yl)propanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[3-(1,2,4-triazol-1-yl)propanoylamino]ethyl]benzoate CAS Name: 4-[2-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(1,2,4-triazol-1-yl)propanoylamino]ethyl]benzoate Traditional Name: 4-[2-[3-(1,2,4-triazol-1-yl)propanoylamino]ethyl]benzoic acid methyl ester Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)CCN2C=NC=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)CCN2C=NC=N2

InChI

InChI=1S/C15H18N4O3/c1-22-15(21)13-4-2-12(3-5-13)6-8-17-14(20)7-9-19-11-16-10-18-19/h2-5,10-11H,6-9H2,1H3,(H,17,20)