diethyl 2-[4-(4-cyanophenyl)phenyl]carbonyl-4-oxidanylidene-heptanedioate

Systemtic Name: diethyl 2-[4-(4-cyanophenyl)phenyl]carbonyl-4-oxidanylidene-heptanedioate Openeye Name: diethyl 2-[4-(4-cyanophenyl)benzoyl]-4-oxo-heptanedioate CAS Name: 2-[[4-(4-cyanophenyl)phenyl]-oxomethyl]-4-oxoheptanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(4-cyanophenyl)benzoyl]-4-oxoheptanedioate Traditional Name: 2-[4-(4-cyanophenyl)benzoyl]-4-keto-pimelic acid diethyl ester Formula: C25H25NO6 MolecularWeight: 435.4691

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)CC(C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCC(=O)CC(C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C#N)C(=O)OCC

InChI

InChI=1S/C25H25NO6/c1-3-31-23(28)14-13-21(27)15-22(25(30)32-4-2)24(29)20-11-9-19(10-12-20)18-7-5-17(16-26)6-8-18/h5-12,22H,3-4,13-15H2,1-2H3