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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCNC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H27NO6/c1-5-14-8-9-16-15(12-19(24)27-17(16)11-14)13-26-18(23)7-6-10-22-20(25)28-21(2,3)4/h8-9,11-12H,5-7,10,13H2,1-4H3,(H,22,25)