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

Systemtic Name: 4-oxidanyl-4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]but-2-ynoic acid Openeye Name: 4-hydroxy-4,4-bis[4-(2-quinolylmethoxy)phenyl]but-2-ynoic acid CAS Name: 4-hydroxy-4,4-bis[4-(2-quinolinylmethoxy)phenyl]-2-butynoic acid IUPAC Name: 4-hydroxy-4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]but-2-ynoic acid Traditional Name: 4-hydroxy-4,4-bis[4-(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=C(C=C3)C(C#CC(=O)O)(C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C(C#CC(=O)O)(C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)O

InChI

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