[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H22O5/c1-3-15-4-8-17(9-5-15)21(23)14(2)26-20(22)11-7-16-6-10-18-19(12-16)25-13-24-18/h4-6,8-10,12,14H,3,7,11,13H2,1-2H3