methyl 2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-4-(4-phenylmethoxyphenyl)butanoate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-4-(4-phenylmethoxyphenyl)butanoate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-4-(4-benzyloxyphenyl)-4-oxo-butanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-4-oxo-4-(4-phenylmethoxyphenyl)butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-4-oxo-4-(4-phenylmethoxyphenyl)butanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(4-benzoxyphenyl)-4-keto-butyric acid methyl ester Formula: C25H22O6 MolecularWeight: 418.43858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C(CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H22O6/c1-28-25(27)21(19-9-12-23-24(13-19)31-16-30-23)14-22(26)18-7-10-20(11-8-18)29-15-17-5-3-2-4-6-17/h2-13,21H,14-16H2,1H3