2-(2,2-dimethylpropoxycarbonylamino)-3-[4-oxidanylidene-2-(3-oxidanylidenepropyl)chromen-6-yl]propanoate

Systemtic Name: 2-(2,2-dimethylpropoxycarbonylamino)-3-[4-oxidanylidene-2-(3-oxidanylidenepropyl)chromen-6-yl]propanoate Openeye Name: 2-(2,2-dimethylpropoxycarbonylamino)-3-[4-oxo-2-(3-oxopropyl)chromen-6-yl]propanoate CAS Name: 2-[[2,2-dimethylpropoxy(oxo)methyl]amino]-3-[4-oxo-2-(3-oxopropyl)-1-benzopyran-6-yl]propanoate IUPAC Name: 2-(2,2-dimethylpropoxycarbonylamino)-3-[4-oxo-2-(3-oxopropyl)chromen-6-yl]propanoate Traditional Name: 3-[4-keto-2-(3-ketopropyl)chromen-6-yl]-2-(neopentyloxycarbonylamino)propionate Formula: C21H24NO7- MolecularWeight: 402.41776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCC=O)C(=O)[O-]

Isomeric SMILES

CC(C)(C)COC(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCC=O)C(=O)[O-]

InChI

InChI=1S/C21H25NO7/c1-21(2,3)12-28-20(27)22-16(19(25)26)10-13-6-7-18-15(9-13)17(24)11-14(29-18)5-4-8-23/h6-9,11,16H,4-5,10,12H2,1-3H3,(H,22,27)(H,25,26)/p-1