[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C22H24O6 MolecularWeight: 384.42236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C(=C2)OC)OCCO3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C(=C2)OC)OCCO3

InChI

InChI=1S/C22H24O6/c1-3-4-5-15-6-8-16(9-7-15)18(23)14-28-22(24)17-12-19(25-2)21-20(13-17)26-10-11-27-21/h6-9,12-13H,3-5,10-11,14H2,1-2H3