methyl 4-[4-methoxy-2-methoxycarbonyl-5-(phenylcarbonyloxy)phenyl]-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 4-[4-methoxy-2-methoxycarbonyl-5-(phenylcarbonyloxy)phenyl]-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 4-(5-benzoyloxy-4-methoxy-2-methoxycarbonyl-phenyl)-1,3-benzodioxole-5-carboxylate CAS Name: 4-(5-benzoyloxy-4-methoxy-2-methoxycarbonylphenyl)-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(5-benzoyloxy-4-methoxy-2-methoxycarbonylphenyl)-1,3-benzodioxole-5-carboxylate Traditional Name: 4-(5-benzoyloxy-2-carbomethoxy-4-methoxy-phenyl)-piperonylic acid methyl ester Formula: C25H20O9 MolecularWeight: 464.4209

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)C2=C(C=CC3=C2OCO3)C(=O)OC)OC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)C2=C(C=CC3=C2OCO3)C(=O)OC)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H20O9/c1-29-19-12-17(25(28)31-3)16(11-20(19)34-23(26)14-7-5-4-6-8-14)21-15(24(27)30-2)9-10-18-22(21)33-13-32-18/h4-12H,13H2,1-3H3