2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylic acid; 2-phenylethanamine

Systemtic Name: 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylic acid; 2-phenylethanamine Openeye Name: 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylic acid; 2-phenylethanamine CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid; 2-phenylethanamine IUPAC Name: 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid; 2-phenylethanamine Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid; phenethylamine Formula: C25H23ClN2O2 MolecularWeight: 418.91532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClNO2.C8H11N/c1-10-15(17(20)21)13-7-2-3-8-14(13)19-16(10)11-5-4-6-12(18)9-11;9-7-6-8-4-2-1-3-5-8/h2-9H,1H3,(H,20,21);1-5H,6-7,9H2