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

Systemtic Name: 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid; (4-methylphenyl)methanamine Openeye Name: 3-methyl-2-(p-tolyl)quinoline-4-carboxylic acid; p-tolylmethanamine CAS Name: 3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid; (4-methylphenyl)methanamine IUPAC Name: 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid; (4-methylphenyl)methanamine Traditional Name: (4-methylbenzyl)amine; 3-methyl-2-(p-tolyl)cinchoninic acid Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO2.C8H11N/c1-11-7-9-13(10-8-11)17-12(2)16(18(20)21)14-5-3-4-6-15(14)19-17;1-7-2-4-8(6-9)5-3-7/h3-10H,1-2H3,(H,20,21);2-5H,6,9H2,1H3