[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(4-isopropylanilino)-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (2-cumidino-2-keto-ethyl) ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C20H20N4O3/c1-14(2)15-3-7-17(8-4-15)23-19(25)11-27-20(26)16-5-9-18(10-6-16)24-13-21-12-22-24/h3-10,12-14H,11H2,1-2H3,(H,23,25)