methyl 4-[1-(3H-1,2-benzodioxol-6-yl)-2-ethoxy-2-oxidanylidene-ethoxy]-3-propyl-benzoate

Systemtic Name: methyl 4-[1-(3H-1,2-benzodioxol-6-yl)-2-ethoxy-2-oxidanylidene-ethoxy]-3-propyl-benzoate Openeye Name: methyl 4-[1-(3H-1,2-benzodioxol-6-yl)-2-ethoxy-2-oxo-ethoxy]-3-propyl-benzoate CAS Name: 4-[1-(3H-1,2-benzodioxol-6-yl)-2-ethoxy-2-oxoethoxy]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[1-(3H-1,2-benzodioxol-6-yl)-2-ethoxy-2-oxoethoxy]-3-propylbenzoate Traditional Name: 4-[1-(3H-1,2-benzodioxol-6-yl)-2-ethoxy-2-keto-ethoxy]-3-propyl-benzoic acid methyl ester Formula: C22H24O7 MolecularWeight: 400.42176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)OC)OC(C2=CC3=C(COO3)C=C2)C(=O)OCC

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)OC)OC(C2=CC3=C(COO3)C=C2)C(=O)OCC

InChI

InChI=1S/C22H24O7/c1-4-6-14-11-16(21(23)25-3)9-10-18(14)28-20(22(24)26-5-2)15-7-8-17-13-27-29-19(17)12-15/h7-12,20H,4-6,13H2,1-3H3