(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate

Systemtic Name: (6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzoxazol-3-yl)propanoic acid (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)propionic acid (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H20BrNO6 MolecularWeight: 510.3334

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)CCN4C5=CC=CC=C5OC4=O)Br

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)CCN4C5=CC=CC=C5OC4=O)Br

InChI

InChI=1S/C25H20BrNO6/c26-19-12-17(23-18(13-19)15-31-24(33-23)16-6-2-1-3-7-16)14-30-22(28)10-11-27-20-8-4-5-9-21(20)32-25(27)29/h1-9,12-13,24H,10-11,14-15H2