4-[(2-butylquinolin-4-yl)methyl]benzoic acid

Systemtic Name: 4-[(2-butylquinolin-4-yl)methyl]benzoic acid Openeye Name: 4-[(2-butyl-4-quinolyl)methyl]benzoic acid CAS Name: 4-[(2-butyl-4-quinolinyl)methyl]benzoic acid IUPAC Name: 4-[(2-butylquinolin-4-yl)methyl]benzoic acid Traditional Name: 4-[(2-butyl-4-quinolyl)methyl]benzoic acid Formula: C21H21NO2 MolecularWeight: 319.39694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=C1)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=C1)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21NO2/c1-2-3-6-18-14-17(19-7-4-5-8-20(19)22-18)13-15-9-11-16(12-10-15)21(23)24/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,23,24)