5-[[4-[(E)-oct-1-enoxy]phenyl]carbonylamino]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 5-[[4-[(E)-oct-1-enoxy]phenyl]carbonylamino]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 5-[[4-[(E)-oct-1-enoxy]benzoyl]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 5-[[[4-[(E)-oct-1-enoxy]phenyl]-oxomethyl]amino]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 5-[[4-[(E)-oct-1-enoxy]benzoyl]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 5-[[4-[(E)-oct-1-enoxy]benzoyl]amino]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C24H27NO6 MolecularWeight: 425.47428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=COC1=CC=C(C=C1)C(=O)NC2=C3C(=CC=C2)OCC(O3)C(=O)O

Isomeric SMILES

CCCCCC/C=C/OC1=CC=C(C=C1)C(=O)NC2=C3C(=CC=C2)OCC(O3)C(=O)O

InChI

InChI=1S/C24H27NO6/c1-2-3-4-5-6-7-15-29-18-13-11-17(12-14-18)23(26)25-19-9-8-10-20-22(19)31-21(16-30-20)24(27)28/h7-15,21H,2-6,16H2,1H3,(H,25,26)(H,27,28)/b15-7+