(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate CAS Name: 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]acetic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate Traditional Name: 2-[(5-bromo-2-furoyl)amino]acetic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C20H24BrNO4 MolecularWeight: 422.31286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CNC(=O)C2=CC=C(O2)Br)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CNC(=O)C2=CC=C(O2)Br)C)C(C)(C)C

InChI

InChI=1S/C20H24BrNO4/c1-12-8-14(20(3,4)5)9-13(2)15(12)11-25-18(23)10-22-19(24)16-6-7-17(21)26-16/h6-9H,10-11H2,1-5H3,(H,22,24)