4-(3-pentylquinolin-2-yl)benzoic acid

Systemtic Name: 4-(3-pentylquinolin-2-yl)benzoic acid Openeye Name: 4-(3-pentyl-2-quinolyl)benzoic acid CAS Name: 4-(3-pentyl-2-quinolinyl)benzoic acid IUPAC Name: 4-(3-pentylquinolin-2-yl)benzoic acid Traditional Name: 4-(3-amyl-2-quinolyl)benzoic acid Formula: C21H21NO2 MolecularWeight: 319.39694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=CC=CC=C2N=C1C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCC1=CC2=CC=CC=C2N=C1C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21NO2/c1-2-3-4-8-18-14-17-7-5-6-9-19(17)22-20(18)15-10-12-16(13-11-15)21(23)24/h5-7,9-14H,2-4,8H2,1H3,(H,23,24)