4-oxidanyl-4,4-bis[2-(quinolin-2-ylmethoxy)phenyl]but-2-ynoic acid

Systemtic Name: 4-oxidanyl-4,4-bis[2-(quinolin-2-ylmethoxy)phenyl]but-2-ynoic acid Openeye Name: 4-hydroxy-4,4-bis[2-(2-quinolylmethoxy)phenyl]but-2-ynoic acid CAS Name: 4-hydroxy-4,4-bis[2-(2-quinolinylmethoxy)phenyl]-2-butynoic acid IUPAC Name: 4-hydroxy-4,4-bis[2-(quinolin-2-ylmethoxy)phenyl]but-2-ynoic acid Traditional Name: 4-hydroxy-4,4-bis[2-(2-quinolylmethoxy)phenyl]but-2-ynoic acid Formula: C36H26N2O5 MolecularWeight: 566.60204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC=C3C(C#CC(=O)O)(C4=CC=CC=C4OCC5=NC6=CC=CC=C6C=C5)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC=C3C(C#CC(=O)O)(C4=CC=CC=C4OCC5=NC6=CC=CC=C6C=C5)O

InChI

InChI=1S/C36H26N2O5/c39-35(40)21-22-36(41,29-11-3-7-15-33(29)42-23-27-19-17-25-9-1-5-13-31(25)37-27)30-12-4-8-16-34(30)43-24-28-20-18-26-10-2-6-14-32(26)38-28/h1-20,41H,23-24H2,(H,39,40)