(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C22H20O6 MolecularWeight: 380.3906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20O6/c1-3-15-10-16-13(2)8-22(24)28-19(16)11-18(15)27-21(23)7-5-14-4-6-17-20(9-14)26-12-25-17/h4,6,8-11H,3,5,7,12H2,1-2H3