2-[3-[tert-butyl(methyl)amino]-2-oxidanyl-propoxy]xanthen-9-one

Systemtic Name: 2-[3-[tert-butyl(methyl)amino]-2-oxidanyl-propoxy]xanthen-9-one Openeye Name: 2-[3-[tert-butyl(methyl)amino]-2-hydroxy-propoxy]xanthen-9-one CAS Name: 2-[3-[tert-butyl(methyl)amino]-2-hydroxypropoxy]-9-xanthenone IUPAC Name: 2-[3-[tert-butyl(methyl)amino]-2-hydroxypropoxy]xanthen-9-one Traditional Name: 2-[3-[tert-butyl(methyl)amino]-2-hydroxy-propoxy]xanthone Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C)CC(COC1=CC2=C(C=C1)OC3=CC=CC=C3C2=O)O

Isomeric SMILES

CC(C)(C)N(C)CC(COC1=CC2=C(C=C1)OC3=CC=CC=C3C2=O)O

InChI

InChI=1S/C21H25NO4/c1-21(2,3)22(4)12-14(23)13-25-15-9-10-19-17(11-15)20(24)16-7-5-6-8-18(16)26-19/h5-11,14,23H,12-13H2,1-4H3