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

Systemtic Name: 2-(4-chlorophenyl)quinoline-4-carboxylic acid; 2-phenylethanamine Openeye Name: 2-(4-chlorophenyl)quinoline-4-carboxylic acid; 2-phenylethanamine CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid; 2-phenylethanamine IUPAC Name: 2-(4-chlorophenyl)quinoline-4-carboxylic acid; 2-phenylethanamine Traditional Name: 2-(4-chlorophenyl)cinchoninic acid; phenethylamine Formula: C24H21ClN2O2 MolecularWeight: 404.88874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN.C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN.C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H10ClNO2.C8H11N/c17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15;9-7-6-8-4-2-1-3-5-8/h1-9H,(H,19,20);1-5H,6-7,9H2