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

Systemtic Name: 3-[2-(3-acetyloxypropyl)-4-oxidanylidene-chromen-6-yl]-2-(2,2-dimethylpropoxycarbonylamino)propanoic acid Openeye Name: 3-[2-(3-acetoxypropyl)-4-oxo-chromen-6-yl]-2-(2,2-dimethylpropoxycarbonylamino)propanoic acid CAS Name: 3-[2-(3-acetyloxypropyl)-4-oxo-1-benzopyran-6-yl]-2-[[2,2-dimethylpropoxy(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[2-(3-acetyloxypropyl)-4-oxochromen-6-yl]-2-(2,2-dimethylpropoxycarbonylamino)propanoic acid Traditional Name: 3-[2-(3-acetoxypropyl)-4-keto-chromen-6-yl]-2-(neopentyloxycarbonylamino)propionic acid Formula: C23H29NO8 MolecularWeight: 447.47826

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO8/c1-14(25)30-9-5-6-16-12-19(26)17-10-15(7-8-20(17)32-16)11-18(21(27)28)24-22(29)31-13-23(2,3)4/h7-8,10,12,18H,5-6,9,11,13H2,1-4H3,(H,24,29)(H,27,28)