[3-[1-(2-acetamido-2-methyl-propanoyl)oxy-3-methyl-anthracen-2-yl]-3-methyl-butanoyl]boron

Systemtic Name: [3-[1-(2-acetamido-2-methyl-propanoyl)oxy-3-methyl-anthracen-2-yl]-3-methyl-butanoyl]boron Openeye Name: [3-[1-(2-acetamido-2-methyl-propanoyl)oxy-3-methyl-2-anthryl]-3-methyl-butanoyl]boron CAS Name: [3-[1-(2-acetamido-2-methyl-1-oxopropoxy)-3-methyl-2-anthracenyl]-3-methyl-1-oxobutyl]boron IUPAC Name: [3-[1-(2-acetamido-2-methylpropanoyl)oxy-3-methylanthracen-2-yl]-3-methylbutanoyl]boron Traditional Name: [3-[1-(2-acetamido-2-methyl-propanoyl)oxy-3-methyl-2-anthryl]-3-methyl-butanoyl]boron Formula: C26H28BNO4 MolecularWeight: 429.31582

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)CC(C)(C)C1=C(C2=CC3=CC=CC=C3C=C2C=C1C)OC(=O)C(C)(C)NC(=O)C

Isomeric SMILES

[B]C(=O)CC(C)(C)C1=C(C2=CC3=CC=CC=C3C=C2C=C1C)OC(=O)C(C)(C)NC(=O)C

InChI

InChI=1S/C26H28BNO4/c1-15-11-19-12-17-9-7-8-10-18(17)13-20(19)23(22(15)25(3,4)14-21(27)30)32-24(31)26(5,6)28-16(2)29/h7-13H,14H2,1-6H3,(H,28,29)