2-(3-methylphenyl)quinoline-4-carboxylic acid; phenylmethanamine

Systemtic Name: 2-(3-methylphenyl)quinoline-4-carboxylic acid; phenylmethanamine Openeye Name: 2-(m-tolyl)quinoline-4-carboxylic acid; phenylmethanamine CAS Name: 2-(3-methylphenyl)-4-quinolinecarboxylic acid; phenylmethanamine IUPAC Name: 2-(3-methylphenyl)quinoline-4-carboxylic acid; phenylmethanamine Traditional Name: benzylamine; 2-(m-tolyl)cinchoninic acid Formula: C24H22N2O2 MolecularWeight: 370.44368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO2.C7H9N/c1-11-5-4-6-12(9-11)16-10-14(17(19)20)13-7-2-3-8-15(13)18-16;8-6-7-4-2-1-3-5-7/h2-10H,1H3,(H,19,20);1-5H,6,8H2