(2E)-2-[[4-(1,4-benzodioxin-3-ylmethoxy)phenyl]-cyclohexyl-methoxy]iminopropanoic acid

Systemtic Name: (2E)-2-[[4-(1,4-benzodioxin-3-ylmethoxy)phenyl]-cyclohexyl-methoxy]iminopropanoic acid Openeye Name: (2E)-2-[[4-(1,4-benzodioxin-3-ylmethoxy)phenyl]-cyclohexyl-methoxy]iminopropanoic acid CAS Name: (2E)-2-[[4-(1,4-benzodioxin-3-ylmethoxy)phenyl]-cyclohexylmethoxy]iminopropanoic acid IUPAC Name: (2E)-2-[[4-(1,4-benzodioxin-3-ylmethoxy)phenyl]-cyclohexylmethoxy]iminopropanoic acid Traditional Name: (2E)-2-[[4-(1,4-benzodioxin-3-ylmethoxy)phenyl]-cyclohexyl-methyl]oximinopropionic acid Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(C1CCCCC1)C2=CC=C(C=C2)OCC3=COC4=CC=CC=C4O3)C(=O)O

Isomeric SMILES

C/C(=N\OC(C1CCCCC1)C2=CC=C(C=C2)OCC3=COC4=CC=CC=C4O3)/C(=O)O

InChI

InChI=1S/C25H27NO6/c1-17(25(27)28)26-32-24(18-7-3-2-4-8-18)19-11-13-20(14-12-19)29-15-21-16-30-22-9-5-6-10-23(22)31-21/h5-6,9-14,16,18,24H,2-4,7-8,15H2,1H3,(H,27,28)/b26-17+