2-[3,4-bis(oxidanyl)phenyl]-7-[3-(tert-butylamino)-2-oxidanyl-propoxy]chromen-4-one

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]-7-[3-(tert-butylamino)-2-oxidanyl-propoxy]chromen-4-one Openeye Name: 7-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-(3,4-dihydroxyphenyl)chromen-4-one CAS Name: 7-[3-(tert-butylamino)-2-hydroxypropoxy]-2-(3,4-dihydroxyphenyl)-1-benzopyran-4-one IUPAC Name: 7-[3-(tert-butylamino)-2-hydroxypropoxy]-2-(3,4-dihydroxyphenyl)chromen-4-one Traditional Name: 7-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-(3,4-dihydroxyphenyl)chromone Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)O

InChI

InChI=1S/C22H25NO6/c1-22(2,3)23-11-14(24)12-28-15-5-6-16-18(26)10-20(29-21(16)9-15)13-4-7-17(25)19(27)8-13/h4-10,14,23-25,27H,11-12H2,1-3H3