(phenylmethyl) 3-[[5-(2-chloranyl-4-methoxy-phenyl)-3,6-diethyl-pyrazin-2-yl]amino]-4-ethoxy-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[[5-(2-chloranyl-4-methoxy-phenyl)-3,6-diethyl-pyrazin-2-yl]amino]-4-ethoxy-pyrrolidine-1-carboxylate Openeye Name: benzyl 3-[[5-(2-chloro-4-methoxy-phenyl)-3,6-diethyl-pyrazin-2-yl]amino]-4-ethoxy-pyrrolidine-1-carboxylate CAS Name: 3-[[5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-2-pyrazinyl]amino]-4-ethoxy-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[5-(2-chloro-4-methoxyphenyl)-3,6-diethylpyrazin-2-yl]amino]-4-ethoxypyrrolidine-1-carboxylate Traditional Name: 3-[[5-(2-chloro-4-methoxy-phenyl)-3,6-diethyl-pyrazin-2-yl]amino]-4-ethoxy-pyrrolidine-1-carboxylic acid benzyl ester Formula: C29H35ClN4O4 MolecularWeight: 539.0656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=N1)NC2CN(CC2OCC)C(=O)OCC3=CC=CC=C3)CC)C4=C(C=C(C=C4)OC)Cl

Isomeric SMILES

CCC1=C(N=C(C(=N1)NC2CN(CC2OCC)C(=O)OCC3=CC=CC=C3)CC)C4=C(C=C(C=C4)OC)Cl

InChI

InChI=1S/C29H35ClN4O4/c1-5-23-27(21-14-13-20(36-4)15-22(21)30)31-24(6-2)28(32-23)33-25-16-34(17-26(25)37-7-3)29(35)38-18-19-11-9-8-10-12-19/h8-15,25-26H,5-7,16-18H2,1-4H3,(H,32,33)