[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] pyrazine-2-carboxylate

Systemtic Name: [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] pyrazine-2-carboxylate Openeye Name: [(1R)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [(1R)-2-[2-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C16H16FN3O3 MolecularWeight: 317.314943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C2=NC=CN=C2

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C2=NC=CN=C2

InChI

InChI=1S/C16H16FN3O3/c1-11(23-16(22)14-10-18-8-9-19-14)15(21)20-7-6-12-2-4-13(17)5-3-12/h2-5,8-11H,6-7H2,1H3,(H,20,21)/t11-/m1/s1