(4-fluorophenyl)methanamine; 3-methyl-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: (4-fluorophenyl)methanamine; 3-methyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: (4-fluorophenyl)methanamine; 3-methyl-2-phenyl-quinoline-4-carboxylic acid CAS Name: (4-fluorophenyl)methanamine; 3-methyl-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: (4-fluorophenyl)methanamine; 3-methyl-2-phenylquinoline-4-carboxylic acid Traditional Name: (4-fluorobenzyl)amine; 3-methyl-2-phenyl-cinchoninic acid Formula: C24H21FN2O2 MolecularWeight: 388.434143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O.C1=CC(=CC=C1CN)F

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O.C1=CC(=CC=C1CN)F

InChI

InChI=1S/C17H13NO2.C7H8FN/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12;8-7-3-1-6(5-9)2-4-7/h2-10H,1H3,(H,19,20);1-4H,5,9H2