(4-chlorophenyl)methanamine; 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: (4-chlorophenyl)methanamine; 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: (4-chlorophenyl)methanamine; 3-methyl-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: (4-chlorophenyl)methanamine; 3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: (4-chlorophenyl)methanamine; 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: (4-chlorobenzyl)amine; 3-methyl-2-(p-tolyl)cinchoninic acid Formula: C25H23ClN2O2 MolecularWeight: 418.91532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)O.C1=CC(=CC=C1CN)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)O.C1=CC(=CC=C1CN)Cl

InChI

InChI=1S/C18H15NO2.C7H8ClN/c1-11-7-9-13(10-8-11)17-12(2)16(18(20)21)14-5-3-4-6-15(14)19-17;8-7-3-1-6(5-9)2-4-7/h3-10H,1-2H3,(H,20,21);1-4H,5,9H2