methyl 3-bromanyl-2-methoxy-4-[(5-oxidanyl-1,3-benzodioxol-4-yl)carbonyl]-5-phenylmethoxy-benzoate

Systemtic Name: methyl 3-bromanyl-2-methoxy-4-[(5-oxidanyl-1,3-benzodioxol-4-yl)carbonyl]-5-phenylmethoxy-benzoate Openeye Name: methyl 5-benzyloxy-3-bromo-4-(5-hydroxy-1,3-benzodioxole-4-carbonyl)-2-methoxy-benzoate CAS Name: 3-bromo-4-[(5-hydroxy-1,3-benzodioxol-4-yl)-oxomethyl]-2-methoxy-5-phenylmethoxybenzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-(5-hydroxy-1,3-benzodioxole-4-carbonyl)-2-methoxy-5-phenylmethoxybenzoate Traditional Name: 5-benzoxy-3-bromo-4-(5-hydroxy-1,3-benzodioxole-4-carbonyl)-2-methoxy-benzoic acid methyl ester Formula: C24H19BrO8 MolecularWeight: 515.30686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1C(=O)OC)OCC2=CC=CC=C2)C(=O)C3=C(C=CC4=C3OCO4)O)Br

Isomeric SMILES

COC1=C(C(=C(C=C1C(=O)OC)OCC2=CC=CC=C2)C(=O)C3=C(C=CC4=C3OCO4)O)Br

InChI

InChI=1S/C24H19BrO8/c1-29-22-14(24(28)30-2)10-17(31-11-13-6-4-3-5-7-13)19(20(22)25)21(27)18-15(26)8-9-16-23(18)33-12-32-16/h3-10,26H,11-12H2,1-2H3