(phenylmethyl) 3-[(3,6-diethylpyrazin-2-yl)amino]-4-(2-fluoranylethoxy)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[(3,6-diethylpyrazin-2-yl)amino]-4-(2-fluoranylethoxy)pyrrolidine-1-carboxylate Openeye Name: benzyl 3-[(3,6-diethylpyrazin-2-yl)amino]-4-(2-fluoroethoxy)pyrrolidine-1-carboxylate CAS Name: 3-[(3,6-diethyl-2-pyrazinyl)amino]-4-(2-fluoroethoxy)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(3,6-diethylpyrazin-2-yl)amino]-4-(2-fluoroethoxy)pyrrolidine-1-carboxylate Traditional Name: 3-[(3,6-diethylpyrazin-2-yl)amino]-4-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H29FN4O3 MolecularWeight: 416.489063

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C(=N1)NC2CN(CC2OCCF)C(=O)OCC3=CC=CC=C3)CC

Isomeric SMILES

CCC1=CN=C(C(=N1)NC2CN(CC2OCCF)C(=O)OCC3=CC=CC=C3)CC

InChI

InChI=1S/C22H29FN4O3/c1-3-17-12-24-18(4-2)21(25-17)26-19-13-27(14-20(19)29-11-10-23)22(28)30-15-16-8-6-5-7-9-16/h5-9,12,19-20H,3-4,10-11,13-15H2,1-2H3,(H,25,26)