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

Systemtic Name: 2-(4-methoxyphenyl)ethanamine; 2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-methoxyphenyl)ethanamine; 2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxylic acid CAS Name: 2-(4-methoxyphenyl)ethanamine; 2-(4-methoxyphenyl)-3-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methoxyphenyl)ethanamine; 2-(4-methoxyphenyl)-3-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-methoxyphenyl)ethylamine; 2-(4-methoxyphenyl)-3-methyl-cinchoninic acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO3.C9H13NO/c1-11-16(18(20)21)14-5-3-4-6-15(14)19-17(11)12-7-9-13(22-2)10-8-12;1-11-9-4-2-8(3-5-9)6-7-10/h3-10H,1-2H3,(H,20,21);2-5H,6-7,10H2,1H3