(phenylmethyl) (2S)-4-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-3-oxidanylidene-2H-pyrazine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-4-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-3-oxidanylidene-2H-pyrazine-1-carboxylate Openeye Name: benzyl (2S)-4-[(4-fluorophenyl)methyl]-2-isobutyl-3-oxo-2H-pyrazine-1-carboxylate CAS Name: (2S)-4-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-3-oxo-2H-pyrazine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-3-oxo-2H-pyrazine-1-carboxylate Traditional Name: (2S)-4-(4-fluorobenzyl)-2-isobutyl-3-keto-2H-pyrazine-1-carboxylic acid benzyl ester Formula: C23H25FN2O3 MolecularWeight: 396.454603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)N(C=CN1C(=O)OCC2=CC=CC=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C[C@H]1C(=O)N(C=CN1C(=O)OCC2=CC=CC=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H25FN2O3/c1-17(2)14-21-22(27)25(15-18-8-10-20(24)11-9-18)12-13-26(21)23(28)29-16-19-6-4-3-5-7-19/h3-13,17,21H,14-16H2,1-2H3/t21-/m0/s1