(6-chloranyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: (6-chloranyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: (6-chloro-1-hydroxy-9-oxo-xanthen-3-yl) 4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid (6-chloro-1-hydroxy-9-oxo-3-xanthenyl) ester IUPAC Name: (6-chloro-1-hydroxy-9-oxoxanthen-3-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarboxylic acid (6-chloro-1-hydroxy-9-keto-xanthen-3-yl) ester Formula: C26H28ClNO7 MolecularWeight: 501.95602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)OC2=CC(=C3C(=C2)OC4=C(C3=O)C=CC(=C4)Cl)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)OC2=CC(=C3C(=C2)OC4=C(C3=O)C=CC(=C4)Cl)O

InChI

InChI=1S/C26H28ClNO7/c1-26(2,3)35-25(32)28-13-14-4-6-15(7-5-14)24(31)33-17-11-19(29)22-21(12-17)34-20-10-16(27)8-9-18(20)23(22)30/h8-12,14-15,29H,4-7,13H2,1-3H3,(H,28,32)