1-(6-chloranyl-2,2-dimethyl-4H-1,3-benzodioxin-8-yl)-1-[1-(triphenylmethyl)imidazol-4-yl]pentan-1-ol

Systemtic Name: 1-(6-chloranyl-2,2-dimethyl-4H-1,3-benzodioxin-8-yl)-1-[1-(triphenylmethyl)imidazol-4-yl]pentan-1-ol Openeye Name: 1-(6-chloro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl)-1-(1-tritylimidazol-4-yl)pentan-1-ol CAS Name: 1-(6-chloro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl)-1-[1-(triphenylmethyl)-4-imidazolyl]-1-pentanol IUPAC Name: 1-(6-chloro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl)-1-(1-tritylimidazol-4-yl)pentan-1-ol Traditional Name: 1-(6-chloro-2,2-dimethyl-4H-1,3-benzodioxin-8-yl)-1-(1-tritylimidazol-4-yl)pentan-1-ol Formula: C37H37ClN2O3 MolecularWeight: 593.15428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C2C(=CC(=C1)Cl)COC(O2)(C)C)(C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

CCCCC(C1=C2C(=CC(=C1)Cl)COC(O2)(C)C)(C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C37H37ClN2O3/c1-4-5-21-36(41,32-23-31(38)22-27-25-42-35(2,3)43-34(27)32)33-24-40(26-39-33)37(28-15-9-6-10-16-28,29-17-11-7-12-18-29)30-19-13-8-14-20-30/h6-20,22-24,26,41H,4-5,21,25H2,1-3H3