2-phenylethanamine; 2-(4-propoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 2-phenylethanamine; 2-(4-propoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 2-phenylethanamine; 2-(4-propoxyphenyl)quinoline-4-carboxylic acid CAS Name: 2-phenylethanamine; 2-(4-propoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-phenylethanamine; 2-(4-propoxyphenyl)quinoline-4-carboxylic acid Traditional Name: phenethylamine; 2-(4-propoxyphenyl)cinchoninic acid Formula: C27H28N2O3 MolecularWeight: 428.52282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1=CC=C(C=C1)CCN

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1=CC=C(C=C1)CCN

InChI

InChI=1S/C19H17NO3.C8H11N/c1-2-11-23-14-9-7-13(8-10-14)18-12-16(19(21)22)15-5-3-4-6-17(15)20-18;9-7-6-8-4-2-1-3-5-8/h3-10,12H,2,11H2,1H3,(H,21,22);1-5H,6-7,9H2