ethyl 3-(1,3-benzodioxol-5-yl)-2-ethanoyl-5-oxidanylidene-5-phenyl-pentanoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-ethanoyl-5-oxidanylidene-5-phenyl-pentanoate Openeye Name: ethyl 2-acetyl-3-(1,3-benzodioxol-5-yl)-5-oxo-5-phenyl-pentanoate CAS Name: 2-acetyl-3-(1,3-benzodioxol-5-yl)-5-oxo-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3-(1,3-benzodioxol-5-yl)-5-oxo-5-phenylpentanoate Traditional Name: 2-acetyl-3-(1,3-benzodioxol-5-yl)-5-keto-5-phenyl-valeric acid ethyl ester Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC(=O)C1=CC=CC=C1)C2=CC3=C(C=C2)OCO3)C(=O)C

Isomeric SMILES

CCOC(=O)C(C(CC(=O)C1=CC=CC=C1)C2=CC3=C(C=C2)OCO3)C(=O)C

InChI

InChI=1S/C22H22O6/c1-3-26-22(25)21(14(2)23)17(12-18(24)15-7-5-4-6-8-15)16-9-10-19-20(11-16)28-13-27-19/h4-11,17,21H,3,12-13H2,1-2H3