2-(4-methoxyphenyl)ethanamine; 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(4-methoxyphenyl)ethanamine; 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-methoxyphenyl)ethanamine; 3-methyl-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 2-(4-methoxyphenyl)ethanamine; 3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methoxyphenyl)ethanamine; 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-methoxyphenyl)ethylamine; 3-methyl-2-(p-tolyl)cinchoninic acid Formula: C27H28N2O3 MolecularWeight: 428.52282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)O.COC1=CC=C(C=C1)CCN

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)O.COC1=CC=C(C=C1)CCN

InChI

InChI=1S/C18H15NO2.C9H13NO/c1-11-7-9-13(10-8-11)17-12(2)16(18(20)21)14-5-3-4-6-15(14)19-17;1-11-9-4-2-8(3-5-9)6-7-10/h3-10H,1-2H3,(H,20,21);2-5H,6-7,10H2,1H3