methyl (E)-4-[4-bromanyl-2-[2-methylidene-1-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-oxidanylidene-butyl]phenoxy]but-2-enoate

Systemtic Name: methyl (E)-4-[4-bromanyl-2-[2-methylidene-1-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-oxidanylidene-butyl]phenoxy]but-2-enoate Openeye Name: methyl (E)-4-[4-bromo-2-(1-tert-butoxycarbonyloxy-2-methylene-3-oxo-butyl)phenoxy]but-2-enoate CAS Name: (E)-4-[4-bromo-2-[2-methylene-1-[(2-methylpropan-2-yl)oxy-oxomethoxy]-3-oxobutyl]phenoxy]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[4-bromo-2-[2-methylidene-1-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-oxobutyl]phenoxy]but-2-enoate Traditional Name: (E)-4-[2-(2-acetyl-1-tert-butoxycarbonyloxy-allyl)-4-bromo-phenoxy]but-2-enoic acid methyl ester Formula: C21H25BrO7 MolecularWeight: 469.323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C)C(C1=C(C=CC(=C1)Br)OCC=CC(=O)OC)OC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C(=C)C(C1=C(C=CC(=C1)Br)OC/C=C/C(=O)OC)OC(=O)OC(C)(C)C

InChI

InChI=1S/C21H25BrO7/c1-13(14(2)23)19(28-20(25)29-21(3,4)5)16-12-15(22)9-10-17(16)27-11-7-8-18(24)26-6/h7-10,12,19H,1,11H2,2-6H3/b8-7+