methyl 2-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-6-propyl-chromen-7-yl]oxyethanoate

Systemtic Name: methyl 2-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-6-propyl-chromen-7-yl]oxyethanoate Openeye Name: methyl 2-[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-chromen-7-yl]oxyacetate CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-1-benzopyran-7-yl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propylchromen-7-yl]oxyacetate Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)-4-keto-6-propyl-chromen-7-yl]oxyacetic acid methyl ester Formula: C22H20O7 MolecularWeight: 396.39

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)OCC(=O)OC

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)OCC(=O)OC

InChI

InChI=1S/C22H20O7/c1-3-4-14-7-15-19(9-18(14)27-11-21(23)25-2)26-10-16(22(15)24)13-5-6-17-20(8-13)29-12-28-17/h5-10H,3-4,11-12H2,1-2H3