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

Systemtic Name: (phenylmethyl) 3-[[5-(2-chloranyl-4-methoxy-phenyl)-3,6-diethyl-pyrazin-2-yl]amino]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: benzyl 3-[[5-(2-chloro-4-methoxy-phenyl)-3,6-diethyl-pyrazin-2-yl]amino]-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: 3-[[5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-2-pyrazinyl]amino]-4-hydroxy-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[5-(2-chloro-4-methoxyphenyl)-3,6-diethylpyrazin-2-yl]amino]-4-hydroxypyrrolidine-1-carboxylate Traditional Name: 3-[[5-(2-chloro-4-methoxy-phenyl)-3,6-diethyl-pyrazin-2-yl]amino]-4-hydroxy-pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H31ClN4O4 MolecularWeight: 511.01244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=N1)NC2CN(CC2O)C(=O)OCC3=CC=CC=C3)CC)C4=C(C=C(C=C4)OC)Cl

Isomeric SMILES

CCC1=C(N=C(C(=N1)NC2CN(CC2O)C(=O)OCC3=CC=CC=C3)CC)C4=C(C=C(C=C4)OC)Cl

InChI

InChI=1S/C27H31ClN4O4/c1-4-21-25(19-12-11-18(35-3)13-20(19)28)29-22(5-2)26(30-21)31-23-14-32(15-24(23)33)27(34)36-16-17-9-7-6-8-10-17/h6-13,23-24,33H,4-5,14-16H2,1-3H3,(H,30,31)