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

Systemtic Name: 2-(4-methoxyphenyl)ethanamine; 2-(4-methoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-methoxyphenyl)ethanamine; 2-(4-methoxyphenyl)quinoline-4-carboxylic acid CAS Name: 2-(4-methoxyphenyl)ethanamine; 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methoxyphenyl)ethanamine; 2-(4-methoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid; 2-(4-methoxyphenyl)ethylamine Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO3.C9H13NO/c1-21-12-8-6-11(7-9-12)16-10-14(17(19)20)13-4-2-3-5-15(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