[(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [(1R)-2-morpholino-2-oxo-1-phenyl-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(1R)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(1R)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1COCCN1C(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C21H20N4O4/c26-20(24-10-12-28-13-11-24)19(16-4-2-1-3-5-16)29-21(27)17-6-8-18(9-7-17)25-15-22-14-23-25/h1-9,14-15,19H,10-13H2/t19-/m1/s1