[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C21H21N3O3/c1-3-16-4-8-18(9-5-16)20(25)15(2)27-21(26)19-10-6-17(7-11-19)12-24-14-22-13-23-24/h4-11,13-15H,3,12H2,1-2H3