4-[2-(3-cyano-3,3-diphenyl-propoxy)phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[2-(3-cyano-3,3-diphenyl-propoxy)phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[2-(3-cyano-3,3-diphenyl-propoxy)phenyl]-2,4-dioxo-butanoic acid CAS Name: 4-[2-(3-cyano-3,3-diphenylpropoxy)phenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[2-(3-cyano-3,3-diphenylpropoxy)phenyl]-2,4-dioxobutanoic acid Traditional Name: 4-[2-(3-cyano-3,3-diphenyl-propoxy)phenyl]-2,4-diketo-butyric acid Formula: C26H21NO5 MolecularWeight: 427.44864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCOC2=CC=CC=C2C(=O)CC(=O)C(=O)O)(C#N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CCOC2=CC=CC=C2C(=O)CC(=O)C(=O)O)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C26H21NO5/c27-18-26(19-9-3-1-4-10-19,20-11-5-2-6-12-20)15-16-32-24-14-8-7-13-21(24)22(28)17-23(29)25(30)31/h1-14H,15-17H2,(H,30,31)