4-[4-(4-methylquinolin-2-yl)phenoxy]butanoate

Systemtic Name: 4-[4-(4-methylquinolin-2-yl)phenoxy]butanoate Openeye Name: 4-[4-(4-methyl-2-quinolyl)phenoxy]butanoate CAS Name: 4-[4-(4-methyl-2-quinolinyl)phenoxy]butanoate IUPAC Name: 4-[4-(4-methylquinolin-2-yl)phenoxy]butanoate Traditional Name: 4-[4-(4-methyl-2-quinolyl)phenoxy]butyrate Formula: C20H18NO3- MolecularWeight: 320.36182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)C3=CC=C(C=C3)OCCCC(=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)C3=CC=C(C=C3)OCCCC(=O)[O-]

InChI

InChI=1S/C20H19NO3/c1-14-13-19(21-18-6-3-2-5-17(14)18)15-8-10-16(11-9-15)24-12-4-7-20(22)23/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,22,23)/p-1