ethyl 2-(1,3-benzodioxol-5-yl)-3-(4-methoxy-3-methyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-yl)-3-(4-methoxy-3-methyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: ethyl 2-(1,3-benzodioxol-5-yl)-3-(4-methoxy-3-methyl-phenyl)-4-oxo-butanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-3-(4-methoxy-3-methylphenyl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-yl)-3-(4-methoxy-3-methylphenyl)-4-oxobutanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-keto-3-(4-methoxy-3-methyl-phenyl)butyric acid ethyl ester Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC2=C(C=C1)OCO2)C(C=O)C3=CC(=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C(C1=CC2=C(C=C1)OCO2)C(C=O)C3=CC(=C(C=C3)OC)C

InChI

InChI=1S/C21H22O6/c1-4-25-21(23)20(15-6-8-18-19(10-15)27-12-26-18)16(11-22)14-5-7-17(24-3)13(2)9-14/h5-11,16,20H,4,12H2,1-3H3