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

Systemtic Name: 2-(4-methoxyphenyl)ethanamine; 2-(4-propan-2-yloxyphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-isopropoxyphenyl)quinoline-4-carboxylic acid; 2-(4-methoxyphenyl)ethanamine CAS Name: 2-(4-methoxyphenyl)ethanamine; 2-(4-propan-2-yloxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methoxyphenyl)ethanamine; 2-(4-propan-2-yloxyphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-isopropoxyphenyl)cinchoninic acid; 2-(4-methoxyphenyl)ethylamine Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.COC1=CC=C(C=C1)CCN

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.COC1=CC=C(C=C1)CCN

InChI

InChI=1S/C19H17NO3.C9H13NO/c1-12(2)23-14-9-7-13(8-10-14)18-11-16(19(21)22)15-5-3-4-6-17(15)20-18;1-11-9-4-2-8(3-5-9)6-7-10/h3-12H,1-2H3,(H,21,22);2-5H,6-7,10H2,1H3