ethanedioic acid; 5-fluoranyl-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline

Systemtic Name: ethanedioic acid; 5-fluoranyl-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline Openeye Name: 5-fluoro-3,3-dimethyl-1-(3-quinolyl)-4H-isoquinoline; oxalic acid CAS Name: 5-fluoro-3,3-dimethyl-1-(3-quinolinyl)-4H-isoquinoline; oxalic acid IUPAC Name: 5-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline; oxalic acid Traditional Name: 5-fluoro-3,3-dimethyl-1-(3-quinolyl)-4H-isoquinoline; oxalic acid Formula: C22H19FN2O4 MolecularWeight: 394.395663

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC=C2F)C(=N1)C3=CC4=CC=CC=C4N=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1(CC2=C(C=CC=C2F)C(=N1)C3=CC4=CC=CC=C4N=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H17FN2.C2H2O4/c1-20(2)11-16-15(7-5-8-17(16)21)19(23-20)14-10-13-6-3-4-9-18(13)22-12-14;3-1(4)2(5)6/h3-10,12H,11H2,1-2H3;(H,3,4)(H,5,6)