methyl 4-[2-(1,3-benzodioxol-5-yl)-1-oxidanyl-3-oxidanylidene-3-phenylmethoxy-propyl]benzoate

Systemtic Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-1-oxidanyl-3-oxidanylidene-3-phenylmethoxy-propyl]benzoate Openeye Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-3-benzyloxy-1-hydroxy-3-oxo-propyl]benzoate CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-1-hydroxy-3-oxo-3-phenylmethoxypropyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-1-hydroxy-3-oxo-3-phenylmethoxypropyl]benzoate Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-3-benzoxy-1-hydroxy-3-keto-propyl]benzoic acid methyl ester Formula: C25H22O7 MolecularWeight: 434.43798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C(C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C(C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C25H22O7/c1-29-24(27)18-9-7-17(8-10-18)23(26)22(19-11-12-20-21(13-19)32-15-31-20)25(28)30-14-16-5-3-2-4-6-16/h2-13,22-23,26H,14-15H2,1H3