[2-oxidanylidene-2-(phenethylamino)ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C20H20N4O3/c25-19(22-11-10-16-4-2-1-3-5-16)13-27-20(26)18-8-6-17(7-9-18)12-24-15-21-14-23-24/h1-9,14-15H,10-13H2,(H,22,25)