3-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]-2-(pyridin-3-ylcarbonylamino)propanoic acid

Systemtic Name: 3-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]-2-(pyridin-3-ylcarbonylamino)propanoic acid Openeye Name: 3-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]-2-(pyridine-3-carbonylamino)propanoic acid CAS Name: 3-[3,4-bis(2,2-dimethyl-1-oxopropoxy)phenyl]-2-[[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]-2-(pyridine-3-carbonylamino)propanoic acid Traditional Name: 3-(3,4-dipivaloyloxyphenyl)-2-nicotinamido-propionic acid Formula: C25H30N2O7 MolecularWeight: 470.5149

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)C2=CN=CC=C2)OC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)C2=CN=CC=C2)OC(=O)C(C)(C)C

InChI

InChI=1S/C25H30N2O7/c1-24(2,3)22(31)33-18-10-9-15(13-19(18)34-23(32)25(4,5)6)12-17(21(29)30)27-20(28)16-8-7-11-26-14-16/h7-11,13-14,17H,12H2,1-6H3,(H,27,28)(H,29,30)