3-[4-(4-methylphenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]pentan-2-yl 2-azanylethanoate

Systemtic Name: 3-[4-(4-methylphenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]pentan-2-yl 2-azanylethanoate Openeye Name: [1-methyl-2-[5-oxo-4-(p-tolyl)-1,2,4-triazol-1-yl]butyl] 2-aminoacetate CAS Name: 2-aminoacetic acid 3-[4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]pentan-2-yl ester IUPAC Name: 3-[4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]pentan-2-yl 2-aminoacetate Traditional Name: 2-aminoacetic acid [2-[5-keto-4-(p-tolyl)-1,2,4-triazol-1-yl]-1-methyl-butyl] ester Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)OC(=O)CN)N1C(=O)N(C=N1)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C(C)OC(=O)CN)N1C(=O)N(C=N1)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H22N4O3/c1-4-14(12(3)23-15(21)9-17)20-16(22)19(10-18-20)13-7-5-11(2)6-8-13/h5-8,10,12,14H,4,9,17H2,1-3H3