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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H27NO7 MolecularWeight: 405.44158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO7/c1-5-13-9-15-14(10-19(25)28-17(15)11-16(13)23)12-27-18(24)7-6-8-22-20(26)29-21(2,3)4/h9-11,23H,5-8,12H2,1-4H3,(H,22,26)