6-[3-(4-methoxy-3-propan-2-yloxy-phenyl)-3-oxidanylidene-propyl]-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 6-[3-(4-methoxy-3-propan-2-yloxy-phenyl)-3-oxidanylidene-propyl]-1,3-benzodioxole-5-carboxylic acid Openeye Name: 6-[3-(3-isopropoxy-4-methoxy-phenyl)-3-oxo-propyl]-1,3-benzodioxole-5-carboxylic acid CAS Name: 6-[3-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopropyl]-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 6-[3-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopropyl]-1,3-benzodioxole-5-carboxylic acid Traditional Name: 6-[3-(3-isopropoxy-4-methoxy-phenyl)-3-keto-propyl]-piperonylic acid Formula: C21H22O7 MolecularWeight: 386.39518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1)C(=O)CCC2=CC3=C(C=C2C(=O)O)OCO3)OC

Isomeric SMILES

CC(C)OC1=C(C=CC(=C1)C(=O)CCC2=CC3=C(C=C2C(=O)O)OCO3)OC

InChI

InChI=1S/C21H22O7/c1-12(2)28-20-9-14(5-7-17(20)25-3)16(22)6-4-13-8-18-19(27-11-26-18)10-15(13)21(23)24/h5,7-10,12H,4,6,11H2,1-3H3,(H,23,24)