2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid; phenylmethanamine

Systemtic Name: 2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid; phenylmethanamine Openeye Name: 2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid; phenylmethanamine CAS Name: 2-(3,4-dimethylphenyl)-4-quinolinecarboxylic acid; phenylmethanamine IUPAC Name: 2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid; phenylmethanamine Traditional Name: benzylamine; 2-(3,4-dimethylphenyl)cinchoninic acid Formula: C25H24N2O2 MolecularWeight: 384.47026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO2.C7H9N/c1-11-7-8-13(9-12(11)2)17-10-15(18(20)21)14-5-3-4-6-16(14)19-17;8-6-7-4-2-1-3-5-7/h3-10H,1-2H3,(H,20,21);1-5H,6,8H2