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

Systemtic Name: (phenylmethyl) 3-[(3,6-diethylpyrazin-2-yl)amino]-4-ethoxy-pyrrolidine-1-carboxylate Openeye Name: benzyl 3-[(3,6-diethylpyrazin-2-yl)amino]-4-ethoxy-pyrrolidine-1-carboxylate CAS Name: 3-[(3,6-diethyl-2-pyrazinyl)amino]-4-ethoxy-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(3,6-diethylpyrazin-2-yl)amino]-4-ethoxypyrrolidine-1-carboxylate Traditional Name: 3-[(3,6-diethylpyrazin-2-yl)amino]-4-ethoxy-pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C(=N1)NC2CN(CC2OCC)C(=O)OCC3=CC=CC=C3)CC

Isomeric SMILES

CCC1=CN=C(C(=N1)NC2CN(CC2OCC)C(=O)OCC3=CC=CC=C3)CC

InChI

InChI=1S/C22H30N4O3/c1-4-17-12-23-18(5-2)21(24-17)25-19-13-26(14-20(19)28-6-3)22(27)29-15-16-10-8-7-9-11-16/h7-12,19-20H,4-6,13-15H2,1-3H3,(H,24,25)