tert-butyl 2-[4-[(3-butyl-5-oxidanylidene-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[(3-butyl-5-oxidanylidene-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(3-butyl-5-oxo-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(3-butyl-5-oxo-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(3-butyl-5-oxo-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(3-butyl-5-keto-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOCC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=NOCC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C

InChI

InChI=1S/C25H30N2O4/c1-5-6-11-22-26-30-17-23(28)27(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)24(29)31-25(2,3)4/h7-10,12-15H,5-6,11,16-17H2,1-4H3