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

Systemtic Name: 3-[[5-(2-chloranyl-4-methoxy-phenyl)-3,6-diethyl-pyrazin-2-yl]amino]-4-ethoxy-pyrrolidine-1-carboxylic acid Openeye Name: 3-[[5-(2-chloro-4-methoxy-phenyl)-3,6-diethyl-pyrazin-2-yl]amino]-4-ethoxy-pyrrolidine-1-carboxylic acid CAS Name: 3-[[5-(2-chloro-4-methoxyphenyl)-3,6-diethyl-2-pyrazinyl]amino]-4-ethoxy-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[[5-(2-chloro-4-methoxyphenyl)-3,6-diethylpyrazin-2-yl]amino]-4-ethoxypyrrolidine-1-carboxylic acid Traditional Name: 3-[[5-(2-chloro-4-methoxy-phenyl)-3,6-diethyl-pyrazin-2-yl]amino]-4-ethoxy-pyrrolidine-1-carboxylic acid Formula: C22H29ClN4O4 MolecularWeight: 448.94306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN4O4/c1-5-16-20(14-9-8-13(30-4)10-15(14)23)24-17(6-2)21(25-16)26-18-11-27(22(28)29)12-19(18)31-7-3/h8-10,18-19H,5-7,11-12H2,1-4H3,(H,25,26)(H,28,29)