N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-imidazol-1-yl-propan-1-amine; ethanedioic acid

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-imidazol-1-yl-propan-1-amine; ethanedioic acid Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-3-imidazol-1-yl-propan-1-amine; oxalic acid CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-3-(1-imidazolyl)-1-propanamine; oxalic acid IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine; oxalic acid Traditional Name: (2-chloro-6-fluoro-benzyl)-(3-imidazol-1-ylpropyl)amine; oxalic acid Formula: C15H17ClFN3O4 MolecularWeight: 357.764583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CNCCCN2C=CN=C2)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CNCCCN2C=CN=C2)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H15ClFN3.C2H2O4/c14-12-3-1-4-13(15)11(12)9-16-5-2-7-18-8-6-17-10-18;3-1(4)2(5)6/h1,3-4,6,8,10,16H,2,5,7,9H2;(H,3,4)(H,5,6)