methyl 2-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[(2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-amino]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(2-chloro-6-fluoro-benzyl)-cyclopropyl-amino]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C23H22ClFN2O2 MolecularWeight: 412.884383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN(CC3=C(C=CC=C3Cl)F)C4CC4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN(CC3=C(C=CC=C3Cl)F)C4CC4)C(=O)OC

InChI

InChI=1S/C23H22ClFN2O2/c1-14-16-6-3-4-9-20(16)26-21(22(14)23(28)29-2)13-27(15-10-11-15)12-17-18(24)7-5-8-19(17)25/h3-9,15H,10-13H2,1-2H3