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

Systemtic Name: sodium (2E)-2-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexyl]oxyiminoethanoate Openeye Name: sodium (2E)-2-[4,4-bis[4-(2-quinolylmethoxy)phenyl]cyclohexoxy]iminoacetate CAS Name: sodium (2E)-2-[4,4-bis[4-(2-quinolinylmethoxy)phenyl]cyclohexyl]oxyiminoacetate IUPAC Name: sodium (2E)-2-[4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexyl]oxyiminoacetate Traditional Name: sodium (2E)-2-[4,4-bis[4-(2-quinolylmethoxy)phenyl]cyclohexyl]oximinoacetate Formula: C40H34N3NaO5 MolecularWeight: 659.70483

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1ON=CC(=O)[O-])(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6.[Na+]

Isomeric SMILES

C1CC(CCC1O/N=C/C(=O)[O-])(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6.[Na+]

InChI

InChI=1S/C40H35N3O5.Na/c44-39(45)25-41-48-36-21-23-40(24-22-36,30-11-17-34(18-12-30)46-26-32-15-9-28-5-1-3-7-37(28)42-32)31-13-19-35(20-14-31)47-27-33-16-10-29-6-2-4-8-38(29)43-33;/h1-20,25,36H,21-24,26-27H2,(H,44,45);/q;+1/p-1/b41-25+;