(5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: (1-hydroxy-5-methyl-9-oxo-xanthen-3-yl) 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (1-hydroxy-5-methyl-9-oxo-3-xanthenyl) ester IUPAC Name: (1-hydroxy-5-methyl-9-oxoxanthen-3-yl) 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid (1-hydroxy-9-keto-5-methyl-xanthen-3-yl) ester Formula: C23H25NO7 MolecularWeight: 427.4471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OC(=O)CCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OC(=O)CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C23H25NO7/c1-13-7-5-8-15-20(27)19-16(25)11-14(12-17(19)30-21(13)15)29-18(26)9-6-10-24-22(28)31-23(2,3)4/h5,7-8,11-12,25H,6,9-10H2,1-4H3,(H,24,28)