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

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H19ClO6 MolecularWeight: 414.83566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C22H19ClO6/c1-2-14-8-19-16(10-17(14)23)15(9-22(25)29-19)11-26-21(24)6-4-13-3-5-18-20(7-13)28-12-27-18/h3,5,7-10H,2,4,6,11-12H2,1H3