2-(4-methoxyphenyl)quinoline-4-carboxylic acid; phenylmethanamine

Systemtic Name: 2-(4-methoxyphenyl)quinoline-4-carboxylic acid; phenylmethanamine Openeye Name: 2-(4-methoxyphenyl)quinoline-4-carboxylic acid; phenylmethanamine CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid; phenylmethanamine IUPAC Name: 2-(4-methoxyphenyl)quinoline-4-carboxylic acid; phenylmethanamine Traditional Name: benzylamine; 2-(4-methoxyphenyl)cinchoninic acid Formula: C24H22N2O3 MolecularWeight: 386.44308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1=CC=C(C=C1)CN

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1=CC=C(C=C1)CN

InChI

InChI=1S/C17H13NO3.C7H9N/c1-21-12-8-6-11(7-9-12)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16;8-6-7-4-2-1-3-5-7/h2-10H,1H3,(H,19,20);1-5H,6,8H2