sodium 4,4-bis[4-[(6-fluoranylquinolin-2-yl)methoxy]phenyl]pentanoate

Systemtic Name: sodium 4,4-bis[4-[(6-fluoranylquinolin-2-yl)methoxy]phenyl]pentanoate Openeye Name: sodium 4,4-bis[4-[(6-fluoro-2-quinolyl)methoxy]phenyl]pentanoate CAS Name: sodium 4,4-bis[4-[(6-fluoro-2-quinolinyl)methoxy]phenyl]pentanoate IUPAC Name: sodium 4,4-bis[4-[(6-fluoroquinolin-2-yl)methoxy]phenyl]pentanoate Traditional Name: sodium 4,4-bis[4-[(6-fluoro-2-quinolyl)methoxy]phenyl]valerate Formula: C37H29F2N2NaO4 MolecularWeight: 626.623736

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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.[Na+]

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.[Na+]

InChI

InChI=1S/C37H30F2N2O4.Na/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);/q;+1/p-1