2-(4-tert-butylphenyl)quinoline-4-carboxylic acid; 2-phenylethanamine

Systemtic Name: 2-(4-tert-butylphenyl)quinoline-4-carboxylic acid; 2-phenylethanamine Openeye Name: 2-(4-tert-butylphenyl)quinoline-4-carboxylic acid; 2-phenylethanamine CAS Name: 2-(4-tert-butylphenyl)-4-quinolinecarboxylic acid; 2-phenylethanamine IUPAC Name: 2-(4-tert-butylphenyl)quinoline-4-carboxylic acid; 2-phenylethanamine Traditional Name: 2-(4-tert-butylphenyl)cinchoninic acid; phenethylamine Formula: C28H30N2O2 MolecularWeight: 426.55

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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=C(C=C1)CCN

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1=CC=C(C=C1)CCN

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;9-7-6-8-4-2-1-3-5-8/h4-12H,1-3H3,(H,22,23);1-5H,6-7,9H2