4,4-bis[4-[(6-fluoranylquinolin-2-yl)methoxy]phenyl]pentanoic acid

Systemtic Name: 4,4-bis[4-[(6-fluoranylquinolin-2-yl)methoxy]phenyl]pentanoic acid Openeye Name: 4,4-bis[4-[(6-fluoro-2-quinolyl)methoxy]phenyl]pentanoic acid CAS Name: 4,4-bis[4-[(6-fluoro-2-quinolinyl)methoxy]phenyl]pentanoic acid IUPAC Name: 4,4-bis[4-[(6-fluoroquinolin-2-yl)methoxy]phenyl]pentanoic acid Traditional Name: 4,4-bis[4-[(6-fluoro-2-quinolyl)methoxy]phenyl]valeric acid Formula: C37H30F2N2O4 MolecularWeight: 604.641906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)(C1=CC=C(C=C1)OCC2=NC3=C(C=C2)C=C(C=C3)F)C4=CC=C(C=C4)OCC5=NC6=C(C=C5)C=C(C=C6)F

Isomeric SMILES

CC(CCC(=O)O)(C1=CC=C(C=C1)OCC2=NC3=C(C=C2)C=C(C=C3)F)C4=CC=C(C=C4)OCC5=NC6=C(C=C5)C=C(C=C6)F

InChI

InChI=1S/C37H30F2N2O4/c1-37(19-18-36(42)43,26-4-12-32(13-5-26)44-22-30-10-2-24-20-28(38)8-16-34(24)40-30)27-6-14-33(15-7-27)45-23-31-11-3-25-21-29(39)9-17-35(25)41-31/h2-17,20-21H,18-19,22-23H2,1H3,(H,42,43)