ethanedioic acid; 2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine

Systemtic Name: ethanedioic acid; 2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine Openeye Name: 2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine; oxalic acid CAS Name: 2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine; oxalic acid IUPAC Name: 2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine; oxalic acid Traditional Name: 2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]ethylamine; oxalic acid Formula: C21H21FN2O8 MolecularWeight: 448.398443

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C(C2=CC=CC=C21)C3=CC=CC=C3F)CCN.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1C(N=C(C2=CC=CC=C21)C3=CC=CC=C3F)CCN.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H17FN2.2C2H2O4/c18-16-8-4-3-7-15(16)17-14-6-2-1-5-12(14)11-13(20-17)9-10-19;2*3-1(4)2(5)6/h1-8,13H,9-11,19H2;2*(H,3,4)(H,5,6)