(5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Systemtic Name: (5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Openeye Name: (1-hydroxy-5-methyl-9-oxo-xanthen-3-yl) 6-(tert-butoxycarbonylamino)hexanoate CAS Name: 6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid (1-hydroxy-5-methyl-9-oxo-3-xanthenyl) ester IUPAC Name: (1-hydroxy-5-methyl-9-oxoxanthen-3-yl) 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Traditional Name: 6-(tert-butoxycarbonylamino)hexanoic acid (1-hydroxy-9-keto-5-methyl-xanthen-3-yl) ester Formula: C25H29NO7 MolecularWeight: 455.50026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO7/c1-15-9-8-10-17-22(29)21-18(27)13-16(14-19(21)32-23(15)17)31-20(28)11-6-5-7-12-26-24(30)33-25(2,3)4/h8-10,13-14,27H,5-7,11-12H2,1-4H3,(H,26,30)