butyl 3-[[(4-fluorophenyl)-(8-oxidanylquinolin-7-yl)methyl]amino]benzoate

Systemtic Name: butyl 3-[[(4-fluorophenyl)-(8-oxidanylquinolin-7-yl)methyl]amino]benzoate Openeye Name: butyl 3-[[(4-fluorophenyl)-(8-hydroxy-7-quinolyl)methyl]amino]benzoate CAS Name: 3-[[(4-fluorophenyl)-(8-hydroxy-7-quinolinyl)methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate Traditional Name: 3-[[(4-fluorophenyl)-(8-hydroxy-7-quinolyl)methyl]amino]benzoic acid butyl ester Formula: C27H25FN2O3 MolecularWeight: 444.497403

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=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=C3)O

InChI

InChI=1S/C27H25FN2O3/c1-2-3-16-33-27(32)20-6-4-8-22(17-20)30-24(19-9-12-21(28)13-10-19)23-14-11-18-7-5-15-29-25(18)26(23)31/h4-15,17,24,30-31H,2-3,16H2,1H3