3-[2-(3-acetyloxypropyl)-2-oxidanyl-4-oxidanylidene-3H-chromen-6-yl]-2-(2,2-dimethylpropoxycarbonylamino)propanoic acid

Systemtic Name: 3-[2-(3-acetyloxypropyl)-2-oxidanyl-4-oxidanylidene-3H-chromen-6-yl]-2-(2,2-dimethylpropoxycarbonylamino)propanoic acid Openeye Name: 3-[2-(3-acetoxypropyl)-2-hydroxy-4-oxo-chroman-6-yl]-2-(2,2-dimethylpropoxycarbonylamino)propanoic acid CAS Name: 3-[2-(3-acetyloxypropyl)-2-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl]-2-[[2,2-dimethylpropoxy(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[2-(3-acetyloxypropyl)-2-hydroxy-4-oxo-3H-chromen-6-yl]-2-(2,2-dimethylpropoxycarbonylamino)propanoic acid Traditional Name: 3-[2-(3-acetoxypropyl)-2-hydroxy-4-keto-chroman-6-yl]-2-(neopentyloxycarbonylamino)propionic acid Formula: C23H31NO9 MolecularWeight: 465.49354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC1(CC(=O)C2=C(O1)C=CC(=C2)CC(C(=O)O)NC(=O)OCC(C)(C)C)O

Isomeric SMILES

CC(=O)OCCCC1(CC(=O)C2=C(O1)C=CC(=C2)CC(C(=O)O)NC(=O)OCC(C)(C)C)O

InChI

InChI=1S/C23H31NO9/c1-14(25)31-9-5-8-23(30)12-18(26)16-10-15(6-7-19(16)33-23)11-17(20(27)28)24-21(29)32-13-22(2,3)4/h6-7,10,17,30H,5,8-9,11-13H2,1-4H3,(H,24,29)(H,27,28)