[(2R)-1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl] 3-azanylpyrazine-2-carboxylate Openeye Name: [(1R)-2-(4-benzyloxyanilino)-1-methyl-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [(1R)-2-(4-benzoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C3=NC=CN=C3N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C21H20N4O4/c1-14(29-21(27)18-19(22)24-12-11-23-18)20(26)25-16-7-9-17(10-8-16)28-13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H2,22,24)(H,25,26)/t14-/m1/s1