3-chloranyl-4-fluoranyl-N-(pyrrolidin-2-ylmethyl)aniline; ethanedioic acid

Systemtic Name: 3-chloranyl-4-fluoranyl-N-(pyrrolidin-2-ylmethyl)aniline; ethanedioic acid Openeye Name: 3-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)aniline; oxalic acid CAS Name: 3-chloro-4-fluoro-N-(2-pyrrolidinylmethyl)aniline; oxalic acid IUPAC Name: 3-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)aniline; oxalic acid Traditional Name: (3-chloro-4-fluoro-phenyl)-(pyrrolidin-2-ylmethyl)amine; oxalic acid Formula: C15H18ClFN2O8 MolecularWeight: 408.763423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)CNC2=CC(=C(C=C2)F)Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(NC1)CNC2=CC(=C(C=C2)F)Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H14ClFN2.2C2H2O4/c12-10-6-8(3-4-11(10)13)15-7-9-2-1-5-14-9;2*3-1(4)2(5)6/h3-4,6,9,14-15H,1-2,5,7H2;2*(H,3,4)(H,5,6)