ethyl 4-[3-(3-ethoxycarbonyl-2-oxidanylidene-pentyl)phenyl]-2-ethyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[3-(3-ethoxycarbonyl-2-oxidanylidene-pentyl)phenyl]-2-ethyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-(3-ethoxycarbonyl-2-oxo-pentyl)phenyl]-2-ethyl-3-oxo-butanoate CAS Name: 4-[3-(3-ethoxycarbonyl-2-oxopentyl)phenyl]-2-ethyl-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-ethoxycarbonyl-2-oxopentyl)phenyl]-2-ethyl-3-oxobutanoate Traditional Name: 4-[3-(3-carbethoxy-2-keto-pentyl)phenyl]-2-ethyl-3-keto-butyric acid ethyl ester Formula: C22H30O6 MolecularWeight: 390.47

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)CC1=CC(=CC=C1)CC(=O)C(CC)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC(C(=O)CC1=CC(=CC=C1)CC(=O)C(CC)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C22H30O6/c1-5-17(21(25)27-7-3)19(23)13-15-10-9-11-16(12-15)14-20(24)18(6-2)22(26)28-8-4/h9-12,17-18H,5-8,13-14H2,1-4H3