6-tert-butyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-8-oxidanyl-chromen-2-one

Systemtic Name: 6-tert-butyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-8-oxidanyl-chromen-2-one Openeye Name: 6-tert-butyl-8-hydroxy-3-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]chromen-2-one CAS Name: 6-tert-butyl-8-hydroxy-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-benzopyran-2-one IUPAC Name: 6-tert-butyl-8-hydroxy-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one Traditional Name: 6-tert-butyl-8-hydroxy-3-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]coumarin Formula: C22H20N2O4 MolecularWeight: 376.4052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC4=CC(=CC(=C4OC3=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC4=CC(=CC(=C4OC3=O)O)C(C)(C)C

InChI

InChI=1S/C22H20N2O4/c1-12-5-7-13(8-6-12)19-23-20(28-24-19)16-10-14-9-15(22(2,3)4)11-17(25)18(14)27-21(16)26/h5-11,25H,1-4H3