4-[2-(3-cyanopropoxy)-5-phenyl-phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[2-(3-cyanopropoxy)-5-phenyl-phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[2-(3-cyanopropoxy)-5-phenyl-phenyl]-2,4-dioxo-butanoic acid CAS Name: 4-[2-(3-cyanopropoxy)-5-phenylphenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[2-(3-cyanopropoxy)-5-phenylphenyl]-2,4-dioxobutanoic acid Traditional Name: 4-[2-(3-cyanopropoxy)-5-phenyl-phenyl]-2,4-diketo-butyric acid Formula: C20H17NO5 MolecularWeight: 351.35268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C=C2)OCCCC#N)C(=O)CC(=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C=C2)OCCCC#N)C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C20H17NO5/c21-10-4-5-11-26-19-9-8-15(14-6-2-1-3-7-14)12-16(19)17(22)13-18(23)20(24)25/h1-3,6-9,12H,4-5,11,13H2,(H,24,25)