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

Systemtic Name: ethanedioic acid; 2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N-methyl-ethanamine Openeye Name: 2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N-methyl-ethanamine; oxalic acid CAS Name: 2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N-methylethanamine; oxalic acid IUPAC Name: 2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N-methylethanamine; oxalic acid Traditional Name: 2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]ethyl-methyl-amine; oxalic acid Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3F.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19FN2.C2H2O4/c1-20-11-10-14-12-13-6-2-3-7-15(13)18(21-14)16-8-4-5-9-17(16)19;3-1(4)2(5)6/h2-9,14,20H,10-12H2,1H3;(H,3,4)(H,5,6)