5-(2,2-dimethylpropanoyloxy)-4-ethyl-2-[2-(1-methylbenzimidazol-2-yl)ethanoyl]phenolate

Systemtic Name: 5-(2,2-dimethylpropanoyloxy)-4-ethyl-2-[2-(1-methylbenzimidazol-2-yl)ethanoyl]phenolate Openeye Name: 5-(2,2-dimethylpropanoyloxy)-4-ethyl-2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenolate CAS Name: 5-(2,2-dimethyl-1-oxopropoxy)-4-ethyl-2-[2-(1-methyl-2-benzimidazolyl)-1-oxoethyl]phenolate IUPAC Name: 5-(2,2-dimethylpropanoyloxy)-4-ethyl-2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenolate Traditional Name: 4-ethyl-2-[2-(1-methylbenzimidazol-2-yl)acetyl]-5-pivaloyloxy-phenolate Formula: C23H25N2O4- MolecularWeight: 393.4556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)CC2=NC3=CC=CC=C3N2C)[O-])OC(=O)C(C)(C)C

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)CC2=NC3=CC=CC=C3N2C)[O-])OC(=O)C(C)(C)C

InChI

InChI=1S/C23H26N2O4/c1-6-14-11-15(18(26)12-20(14)29-22(28)23(2,3)4)19(27)13-21-24-16-9-7-8-10-17(16)25(21)5/h7-12,26H,6,13H2,1-5H3/p-1