ethyl 4-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[5-(4-tert-butylphenyl)-3-isobutoxy-1,2,4-triazol-1-yl]-4-oxo-butanoate CAS Name: 4-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-4-oxobutanoate Traditional Name: 4-[5-(4-tert-butylphenyl)-3-isobutoxy-1,2,4-triazol-1-yl]-4-keto-butyric acid ethyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1C(=NC(=N1)OCC(C)C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)CCC(=O)N1C(=NC(=N1)OCC(C)C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H31N3O4/c1-7-28-19(27)13-12-18(26)25-20(23-21(24-25)29-14-15(2)3)16-8-10-17(11-9-16)22(4,5)6/h8-11,15H,7,12-14H2,1-6H3