1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]pent-2-yne-1,5-diol

Systemtic Name: 1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]pent-2-yne-1,5-diol Openeye Name: 1,1-bis[4-(2-quinolylmethoxy)phenyl]pent-2-yne-1,5-diol CAS Name: 1,1-bis[4-(2-quinolinylmethoxy)phenyl]-2-pentyne-1,5-diol IUPAC Name: 1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]pent-2-yne-1,5-diol Traditional Name: 1,1-bis[4-(2-quinolylmethoxy)phenyl]pent-2-yne-1,5-diol Formula: C37H30N2O4 MolecularWeight: 566.6451

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C37H30N2O4/c40-24-6-5-23-37(41,29-13-19-33(20-14-29)42-25-31-17-11-27-7-1-3-9-35(27)38-31)30-15-21-34(22-16-30)43-26-32-18-12-28-8-2-4-10-36(28)39-32/h1-4,7-22,40-41H,6,24-26H2