(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 1-phenylcyclopropane-1-carboxylate

Systemtic Name: (6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 1-phenylcyclopropane-1-carboxylate Openeye Name: (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 1-phenylcyclopropanecarboxylate CAS Name: 1-phenyl-1-cyclopropanecarboxylic 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 1-phenylcyclopropane-1-carboxylate Traditional Name: 1-phenylcyclopropanecarboxylic acid (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H21BrO4 MolecularWeight: 465.33584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)C(=O)OCC3=C4C(=CC(=C3)Br)COC(O4)C5=CC=CC=C5

Isomeric SMILES

C1CC1(C2=CC=CC=C2)C(=O)OCC3=C4C(=CC(=C3)Br)COC(O4)C5=CC=CC=C5

InChI

InChI=1S/C25H21BrO4/c26-21-13-18-15-28-23(17-7-3-1-4-8-17)30-22(18)19(14-21)16-29-24(27)25(11-12-25)20-9-5-2-6-10-20/h1-10,13-14,23H,11-12,15-16H2