[3-[[3-(bromomethyl)-2-methoxy-5-phenylmethoxy-phenyl]methyl]-4-(2-methoxyethoxymethoxy)phenyl] benzoate

Systemtic Name: [3-[[3-(bromomethyl)-2-methoxy-5-phenylmethoxy-phenyl]methyl]-4-(2-methoxyethoxymethoxy)phenyl] benzoate Openeye Name: [3-[[5-benzyloxy-3-(bromomethyl)-2-methoxy-phenyl]methyl]-4-(2-methoxyethoxymethoxy)phenyl] benzoate CAS Name: benzoic acid [3-[[3-(bromomethyl)-2-methoxy-5-phenylmethoxyphenyl]methyl]-4-(2-methoxyethoxymethoxy)phenyl] ester IUPAC Name: [3-[[3-(bromomethyl)-2-methoxy-5-phenylmethoxyphenyl]methyl]-4-(2-methoxyethoxymethoxy)phenyl] benzoate Traditional Name: benzoic acid [3-[5-benzoxy-3-(bromomethyl)-2-methoxy-benzyl]-4-(2-methoxyethoxymethoxy)phenyl] ester Formula: C33H33BrO7 MolecularWeight: 621.51492

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2)CC3=CC(=CC(=C3OC)CBr)OCC4=CC=CC=C4

Isomeric SMILES

COCCOCOC1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2)CC3=CC(=CC(=C3OC)CBr)OCC4=CC=CC=C4

InChI

InChI=1S/C33H33BrO7/c1-36-15-16-38-23-40-31-14-13-29(41-33(35)25-11-7-4-8-12-25)18-26(31)17-27-19-30(20-28(21-34)32(27)37-2)39-22-24-9-5-3-6-10-24/h3-14,18-20H,15-17,21-23H2,1-2H3