diethyl 2-[(2-oxidanylidenecyclohexyl)-phenyl-methyl]propanedioate

Systemtic Name: diethyl 2-[(2-oxidanylidenecyclohexyl)-phenyl-methyl]propanedioate Openeye Name: diethyl 2-[(2-oxocyclohexyl)-phenyl-methyl]propanedioate CAS Name: 2-[(2-oxocyclohexyl)-phenylmethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2-oxocyclohexyl)-phenylmethyl]propanedioate Traditional Name: 2-[(2-ketocyclohexyl)-phenyl-methyl]malonic acid diethyl ester Formula: C20H26O5 MolecularWeight: 346.41744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1CCCCC1=O)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C1CCCCC1=O)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C20H26O5/c1-3-24-19(22)18(20(23)25-4-2)17(14-10-6-5-7-11-14)15-12-8-9-13-16(15)21/h5-7,10-11,15,17-18H,3-4,8-9,12-13H2,1-2H3