ethanedioic acid; N-[(3-fluorophenyl)methyl]-3-imidazol-1-yl-propan-1-amine

Systemtic Name: ethanedioic acid; N-[(3-fluorophenyl)methyl]-3-imidazol-1-yl-propan-1-amine Openeye Name: N-[(3-fluorophenyl)methyl]-3-imidazol-1-yl-propan-1-amine; oxalic acid CAS Name: N-[(3-fluorophenyl)methyl]-3-(1-imidazolyl)-1-propanamine; oxalic acid IUPAC Name: N-[(3-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine; oxalic acid Traditional Name: (3-fluorobenzyl)-(3-imidazol-1-ylpropyl)amine; oxalic acid Formula: C15H18FN3O4 MolecularWeight: 323.319523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FN3.C2H2O4/c14-13-4-1-3-12(9-13)10-15-5-2-7-17-8-6-16-11-17;3-1(4)2(5)6/h1,3-4,6,8-9,11,15H,2,5,7,10H2;(H,3,4)(H,5,6)