[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(2R)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(1R)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C16H18N4O3/c1-12(15(21)19-8-2-3-9-19)23-16(22)13-4-6-14(7-5-13)20-11-17-10-18-20/h4-7,10-12H,2-3,8-9H2,1H3/t12-/m1/s1