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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O.COC1=CC=C(C=C1)CCN

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O.COC1=CC=C(C=C1)CCN

InChI

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