(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C20H25NO7 MolecularWeight: 391.415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)OC(C)(C)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)OC(C)(C)C)O

InChI

InChI=1S/C20H25NO7/c1-5-12-8-14-13(9-18(24)27-16(14)10-15(12)22)11-26-17(23)6-7-21-19(25)28-20(2,3)4/h8-10,22H,5-7,11H2,1-4H3,(H,21,25)