4-[3-[[6-(4-carboxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-2-oxidanyl-propoxy]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 4-[3-[[6-(4-carboxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-2-oxidanyl-propoxy]-N-oxidanyl-benzeneamine oxide Openeye Name: 4-[3-[[6-(4-carboxyphenyl)chroman-2-yl]methylamino]-2-hydroxy-propoxy]-N-hydroxy-benzeneamine oxide CAS Name: 4-[3-[[6-(4-carboxyphenyl)-3,4-dihydro-2H-1-benzopyran-2-yl]methylamino]-2-hydroxypropoxy]-N-hydroxybenzeneamine oxide IUPAC Name: 4-[3-[[6-(4-carboxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-2-hydroxypropoxy]-N-hydroxybenzeneamine oxide Traditional Name: 4-[3-[[6-(4-carboxyphenyl)chroman-2-yl]methylamino]-2-hydroxy-propoxy]-N-hydroxy-benzeneamine oxide Formula: C26H28N2O7 MolecularWeight: 480.50972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OC1CNCC(COC4=CC=C(C=C4)[NH+](O)[O-])O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OC1CNCC(COC4=CC=C(C=C4)[NH+](O)[O-])O

InChI

InChI=1S/C26H28N2O7/c29-22(16-34-23-10-7-21(8-11-23)28(32)33)14-27-15-24-9-5-20-13-19(6-12-25(20)35-24)17-1-3-18(4-2-17)26(30)31/h1-4,6-8,10-13,22,24,27-29,32H,5,9,14-16H2,(H,30,31)