(phenylmethyl) 3-[(E)-4-bromanyl-3-methyl-but-2-enyl]-4-phenylmethoxy-benzoate

Systemtic Name: (phenylmethyl) 3-[(E)-4-bromanyl-3-methyl-but-2-enyl]-4-phenylmethoxy-benzoate Openeye Name: benzyl 4-benzyloxy-3-[(E)-4-bromo-3-methyl-but-2-enyl]benzoate CAS Name: 3-[(E)-4-bromo-3-methylbut-2-enyl]-4-phenylmethoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(E)-4-bromo-3-methylbut-2-enyl]-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-[(E)-4-bromo-3-methyl-but-2-enyl]benzoic acid benzyl ester Formula: C26H25BrO3 MolecularWeight: 465.3789

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(C=CC(=C1)C(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)CBr

Isomeric SMILES

C/C(=C\CC1=C(C=CC(=C1)C(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)/CBr

InChI

InChI=1S/C26H25BrO3/c1-20(17-27)12-13-23-16-24(26(28)30-19-22-10-6-3-7-11-22)14-15-25(23)29-18-21-8-4-2-5-9-21/h2-12,14-16H,13,17-19H2,1H3/b20-12+