[2-[[2-(bromomethyl)-3,6-dimethoxy-phenyl]methyl]-1-[(2-methylpropan-2-yl)oxy]-1,3-bis(oxidanylidene)butan-2-yl] benzoate

Systemtic Name: [2-[[2-(bromomethyl)-3,6-dimethoxy-phenyl]methyl]-1-[(2-methylpropan-2-yl)oxy]-1,3-bis(oxidanylidene)butan-2-yl] benzoate Openeye Name: [1-[[2-(bromomethyl)-3,6-dimethoxy-phenyl]methyl]-1-tert-butoxycarbonyl-2-oxo-propyl] benzoate CAS Name: benzoic acid [2-[[2-(bromomethyl)-3,6-dimethoxyphenyl]methyl]-1-[(2-methylpropan-2-yl)oxy]-1,3-dioxobutan-2-yl] ester IUPAC Name: [2-[[2-(bromomethyl)-3,6-dimethoxyphenyl]methyl]-1-[(2-methylpropan-2-yl)oxy]-1,3-dioxobutan-2-yl] benzoate Traditional Name: benzoic acid [1-[2-(bromomethyl)-3,6-dimethoxy-benzyl]-1-tert-butoxycarbonyl-2-keto-propyl] ester Formula: C25H29BrO7 MolecularWeight: 521.39756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=C(C=CC(=C1CBr)OC)OC)(C(=O)OC(C)(C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C(CC1=C(C=CC(=C1CBr)OC)OC)(C(=O)OC(C)(C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H29BrO7/c1-16(27)25(23(29)33-24(2,3)4,32-22(28)17-10-8-7-9-11-17)14-18-19(15-26)21(31-6)13-12-20(18)30-5/h7-13H,14-15H2,1-6H3