3-[3-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]-2-oxidanyl-propoxy]-2-phenyl-chromen-4-one

Systemtic Name: 3-[3-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]-2-oxidanyl-propoxy]-2-phenyl-chromen-4-one Openeye Name: 3-[3-[2-(3,4-dihydroxyphenyl)ethylamino]-2-hydroxy-propoxy]-2-phenyl-chromen-4-one CAS Name: 3-[3-[2-(3,4-dihydroxyphenyl)ethylamino]-2-hydroxypropoxy]-2-phenyl-1-benzopyran-4-one IUPAC Name: 3-[3-[2-(3,4-dihydroxyphenyl)ethylamino]-2-hydroxypropoxy]-2-phenylchromen-4-one Traditional Name: 3-[3-[2-(3,4-dihydroxyphenyl)ethylamino]-2-hydroxy-propoxy]-2-phenyl-chromone Formula: C26H25NO6 MolecularWeight: 447.4798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC(CNCCC4=CC(=C(C=C4)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC(CNCCC4=CC(=C(C=C4)O)O)O

InChI

InChI=1S/C26H25NO6/c28-19(15-27-13-12-17-10-11-21(29)22(30)14-17)16-32-26-24(31)20-8-4-5-9-23(20)33-25(26)18-6-2-1-3-7-18/h1-11,14,19,27-30H,12-13,15-16H2