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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-4-phenyl-butanoate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-4-oxo-4-phenyl-butanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-4-oxo-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-4-oxo-4-phenylbutanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-keto-4-phenyl-butyric acid methyl ester Formula: C18H16O5 MolecularWeight: 312.31664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O5/c1-21-18(20)14(10-15(19)12-5-3-2-4-6-12)13-7-8-16-17(9-13)23-11-22-16/h2-9,14H,10-11H2,1H3