sodium (2E)-2-[5-oxidanyl-5,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pent-3-ynoxy]iminopropanoate

Systemtic Name: sodium (2E)-2-[5-oxidanyl-5,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pent-3-ynoxy]iminopropanoate Openeye Name: sodium (2E)-2-[5-hydroxy-5,5-bis[4-(2-quinolylmethoxy)phenyl]pent-3-ynoxy]iminopropanoate CAS Name: sodium (2E)-2-[5-hydroxy-5,5-bis[4-(2-quinolinylmethoxy)phenyl]pent-3-ynoxy]iminopropanoate IUPAC Name: sodium (2E)-2-[5-hydroxy-5,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pent-3-ynoxy]iminopropanoate Traditional Name: sodium (2E)-2-[5-hydroxy-5,5-bis[4-(2-quinolylmethoxy)phenyl]pent-3-ynyl]oximinopropionate Formula: C40H32N3NaO6 MolecularWeight: 673.68835

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOCCC#CC(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)(C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)O)C(=O)[O-].[Na+]

Isomeric SMILES

C/C(=N\OCCC#CC(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)(C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)O)/C(=O)[O-].[Na+]

InChI

InChI=1S/C40H33N3O6.Na/c1-28(39(44)45)43-49-25-7-6-24-40(46,31-14-20-35(21-15-31)47-26-33-18-12-29-8-2-4-10-37(29)41-33)32-16-22-36(23-17-32)48-27-34-19-13-30-9-3-5-11-38(30)42-34;/h2-5,8-23,46H,7,25-27H2,1H3,(H,44,45);/q;+1/p-1/b43-28+;