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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

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