(3E)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethoxyphenyl)methylidene]oxan-2-one

Systemtic Name: (3E)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethoxyphenyl)methylidene]oxan-2-one Openeye Name: (3E)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethoxyphenyl)methylene]tetrahydropyran-2-one CAS Name: (3E)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethoxyphenyl)methylidene]-2-oxanone IUPAC Name: (3E)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethoxyphenyl)methylidene]oxan-2-one Traditional Name: (3E)-3-(3,5-dimethoxybenzylidene)-4-piperonyl-tetrahydropyran-2-one Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=C2C(CCOC2=O)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C/2\C(CCOC2=O)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H22O6/c1-24-17-8-15(9-18(12-17)25-2)10-19-16(5-6-26-22(19)23)7-14-3-4-20-21(11-14)28-13-27-20/h3-4,8-12,16H,5-7,13H2,1-2H3/b19-10+