[4-(4-octylphenyl)-5-oxidanylidene-1,2,4-triazol-1-yl] butanoate

Systemtic Name: [4-(4-octylphenyl)-5-oxidanylidene-1,2,4-triazol-1-yl] butanoate Openeye Name: [4-(4-octylphenyl)-5-oxo-1,2,4-triazol-1-yl] butanoate CAS Name: butanoic acid [4-(4-octylphenyl)-5-oxo-1,2,4-triazol-1-yl] ester IUPAC Name: [4-(4-octylphenyl)-5-oxo-1,2,4-triazol-1-yl] butanoate Traditional Name: butyric acid [5-keto-4-(4-octylphenyl)-1,2,4-triazol-1-yl] ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)N2C=NN(C2=O)OC(=O)CCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N2C=NN(C2=O)OC(=O)CCC

InChI

InChI=1S/C20H29N3O3/c1-3-5-6-7-8-9-11-17-12-14-18(15-13-17)22-16-21-23(20(22)25)26-19(24)10-4-2/h12-16H,3-11H2,1-2H3