5-fluoranyl-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline; 2-oxidanylbenzoate

Systemtic Name: 5-fluoranyl-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline; 2-oxidanylbenzoate Openeye Name: 5-fluoro-3,3-dimethyl-1-(3-quinolyl)-4H-isoquinoline; 2-hydroxybenzoate CAS Name: 5-fluoro-3,3-dimethyl-1-(3-quinolinyl)-4H-isoquinoline; 2-hydroxybenzoate IUPAC Name: 5-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline; 2-hydroxybenzoate Traditional Name: 5-fluoro-3,3-dimethyl-1-(3-quinolyl)-4H-isoquinoline; salicylate Formula: C27H22FN2O3- MolecularWeight: 441.473583

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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.C1=CC=C(C(=C1)C(=O)[O-])O

Isomeric SMILES

CC1(CC2=C(C=CC=C2F)C(=N1)C3=CC4=CC=CC=C4N=C3)C.C1=CC=C(C(=C1)C(=O)[O-])O

InChI

InChI=1S/C20H17FN2.C7H6O3/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;8-6-4-2-1-3-5(6)7(9)10/h3-10,12H,11H2,1-2H3;1-4,8H,(H,9,10)/p-1