3-azanyl-2-[4-[(E)-oct-2-enoxy]phenyl]carbonyl-2H-1,4-benzodioxine-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCOC1=CC=C(C=C1)C(=O)C2C(OC3=CC=CC=C3O2)(C(=O)O)N

Isomeric SMILES

CCCCC/C=C/COC1=CC=C(C=C1)C(=O)C2C(OC3=CC=CC=C3O2)(C(=O)O)N

InChI

InChI=1S/C24H27NO6/c1-2-3-4-5-6-9-16-29-18-14-12-17(13-15-18)21(26)22-24(25,23(27)28)31-20-11-8-7-10-19(20)30-22/h6-15,22H,2-5,16,25H2,1H3,(H,27,28)/b9-6+