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

Systemtic Name: 2-(4-tert-butylphenyl)quinoline-4-carboxylic acid; (4-methylphenyl)methanamine Openeye Name: 2-(4-tert-butylphenyl)quinoline-4-carboxylic acid; p-tolylmethanamine CAS Name: 2-(4-tert-butylphenyl)-4-quinolinecarboxylic acid; (4-methylphenyl)methanamine IUPAC Name: 2-(4-tert-butylphenyl)quinoline-4-carboxylic acid; (4-methylphenyl)methanamine Traditional Name: 2-(4-tert-butylphenyl)cinchoninic acid; (4-methylbenzyl)amine Formula: C28H30N2O2 MolecularWeight: 426.55

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN.CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN.CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C20H19NO2.C8H11N/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;1-7-2-4-8(6-9)5-3-7/h4-12H,1-3H3,(H,22,23);2-5H,6,9H2,1H3