dimethyl 5-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-amino]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(2-chloro-6-fluoro-benzyl)-cyclopropyl-amino]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H22ClFN2O5 MolecularWeight: 448.871883

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN(CC2=C(C=CC=C2Cl)F)C3CC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN(CC2=C(C=CC=C2Cl)F)C3CC3)C(=O)OC

InChI

InChI=1S/C22H22ClFN2O5/c1-30-21(28)13-8-14(22(29)31-2)10-15(9-13)25-20(27)12-26(16-6-7-16)11-17-18(23)4-3-5-19(17)24/h3-5,8-10,16H,6-7,11-12H2,1-2H3,(H,25,27)