(1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: (1-hydroxy-9-oxo-xanthen-3-yl) 2-(tert-butoxycarbonylamino)butanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (1-hydroxy-9-oxo-3-xanthenyl) ester IUPAC Name: (1-hydroxy-9-oxoxanthen-3-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 2-(tert-butoxycarbonylamino)butyric acid (1-hydroxy-9-keto-xanthen-3-yl) ester Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1=CC(=C2C(=C1)OC3=CC=CC=C3C2=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C(=O)OC1=CC(=C2C(=C1)OC3=CC=CC=C3C2=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H23NO7/c1-5-14(23-21(27)30-22(2,3)4)20(26)28-12-10-15(24)18-17(11-12)29-16-9-7-6-8-13(16)19(18)25/h6-11,14,24H,5H2,1-4H3,(H,23,27)