2-(4-tert-butylphenyl)quinoline-4-carboxylic acid; (4-fluorophenyl)methanamine

Systemtic Name: 2-(4-tert-butylphenyl)quinoline-4-carboxylic acid; (4-fluorophenyl)methanamine Openeye Name: 2-(4-tert-butylphenyl)quinoline-4-carboxylic acid; (4-fluorophenyl)methanamine CAS Name: 2-(4-tert-butylphenyl)-4-quinolinecarboxylic acid; (4-fluorophenyl)methanamine IUPAC Name: 2-(4-tert-butylphenyl)quinoline-4-carboxylic acid; (4-fluorophenyl)methanamine Traditional Name: 2-(4-tert-butylphenyl)cinchoninic acid; (4-fluorobenzyl)amine Formula: C27H27FN2O2 MolecularWeight: 430.513883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1=CC(=CC=C1CN)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1=CC(=CC=C1CN)F

InChI

InChI=1S/C20H19NO2.C7H8FN/c1-20(2,3)14-10-8-13(9-11-14)18-12-16(19(22)23)15-6-4-5-7-17(15)21-18;8-7-3-1-6(5-9)2-4-7/h4-12H,1-3H3,(H,22,23);1-4H,5,9H2