3-[4-[5-(6,6-dimethyl-5,7-dihydro-4H-1,2-benzoxazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethyl-phenyl]propane-1,2-diol

Systemtic Name: 3-[4-[5-(6,6-dimethyl-5,7-dihydro-4H-1,2-benzoxazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethyl-phenyl]propane-1,2-diol Openeye Name: 3-[4-[5-(6,6-dimethyl-5,7-dihydro-4H-1,2-benzoxazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethyl-phenyl]propane-1,2-diol CAS Name: 3-[4-[5-(6,6-dimethyl-5,7-dihydro-4H-1,2-benzoxazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]propane-1,2-diol IUPAC Name: 3-[4-[5-(6,6-dimethyl-5,7-dihydro-4H-1,2-benzoxazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]propane-1,2-diol Traditional Name: 3-[4-[5-(6,6-dimethyl-5,7-dihydro-4H-indoxazen-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethyl-phenyl]propane-1,2-diol Formula: C22H27N3O4 MolecularWeight: 397.46748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(CO)O)C)C2=NOC(=N2)C3=NOC4=C3CCC(C4)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CC(CO)O)C)C2=NOC(=N2)C3=NOC4=C3CCC(C4)(C)C

InChI

InChI=1S/C22H27N3O4/c1-12-7-14(8-13(2)17(12)9-15(27)11-26)20-23-21(29-25-20)19-16-5-6-22(3,4)10-18(16)28-24-19/h7-8,15,26-27H,5-6,9-11H2,1-4H3