sodium (2E)-2-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexyl]oxyiminopropanoate

Systemtic Name: sodium (2E)-2-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexyl]oxyiminopropanoate Openeye Name: sodium (2E)-2-[4,4-bis[4-(2-quinolylmethoxy)phenyl]cyclohexoxy]iminopropanoate CAS Name: sodium (2E)-2-[4,4-bis[4-(2-quinolinylmethoxy)phenyl]cyclohexyl]oxyiminopropanoate IUPAC Name: sodium (2E)-2-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexyl]oxyiminopropanoate Traditional Name: sodium (2E)-2-[4,4-bis[4-(2-quinolylmethoxy)phenyl]cyclohexyl]oximinopropionate Formula: C41H36N3NaO5 MolecularWeight: 673.73141

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC1CCC(CC1)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6)C(=O)[O-].[Na+]

Isomeric SMILES

C/C(=N\OC1CCC(CC1)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6)/C(=O)[O-].[Na+]

InChI

InChI=1S/C41H37N3O5.Na/c1-28(40(45)46)44-49-37-22-24-41(25-23-37,31-12-18-35(19-13-31)47-26-33-16-10-29-6-2-4-8-38(29)42-33)32-14-20-36(21-15-32)48-27-34-17-11-30-7-3-5-9-39(30)43-34;/h2-21,37H,22-27H2,1H3,(H,45,46);/q;+1/p-1/b44-28+;