butyl 3-[[(4-fluorophenyl)-(2-methyl-8-oxidanyl-quinolin-7-yl)methyl]amino]benzoate

Systemtic Name: butyl 3-[[(4-fluorophenyl)-(2-methyl-8-oxidanyl-quinolin-7-yl)methyl]amino]benzoate Openeye Name: butyl 3-[[(4-fluorophenyl)-(8-hydroxy-2-methyl-7-quinolyl)methyl]amino]benzoate CAS Name: 3-[[(4-fluorophenyl)-(8-hydroxy-2-methyl-7-quinolinyl)methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[(4-fluorophenyl)-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate Traditional Name: 3-[[(4-fluorophenyl)-(8-hydroxy-2-methyl-7-quinolyl)methyl]amino]benzoic acid butyl ester Formula: C28H27FN2O3 MolecularWeight: 458.523983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(C2=CC=C(C=C2)F)C3=C(C4=C(C=CC(=N4)C)C=C3)O

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(C2=CC=C(C=C2)F)C3=C(C4=C(C=CC(=N4)C)C=C3)O

InChI

InChI=1S/C28H27FN2O3/c1-3-4-16-34-28(33)21-6-5-7-23(17-21)31-25(19-10-13-22(29)14-11-19)24-15-12-20-9-8-18(2)30-26(20)27(24)32/h5-15,17,25,31-32H,3-4,16H2,1-2H3