2-(4-methoxyphenyl)ethanamine; 2-(3-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(4-methoxyphenyl)ethanamine; 2-(3-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-methoxyphenyl)ethanamine; 2-(m-tolyl)quinoline-4-carboxylic acid CAS Name: 2-(4-methoxyphenyl)ethanamine; 2-(3-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methoxyphenyl)ethanamine; 2-(3-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-methoxyphenyl)ethylamine; 2-(m-tolyl)cinchoninic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.COC1=CC=C(C=C1)CCN

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.COC1=CC=C(C=C1)CCN

InChI

InChI=1S/C17H13NO2.C9H13NO/c1-11-5-4-6-12(9-11)16-10-14(17(19)20)13-7-2-3-8-15(13)18-16;1-11-9-4-2-8(3-5-9)6-7-10/h2-10H,1H3,(H,19,20);2-5H,6-7,10H2,1H3