2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-[4-(4-ethoxyphenyl)phenyl]-2-ethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-[4-(4-ethoxyphenyl)phenyl]-2-ethyl-4-oxidanylidene-butanoic acid Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-4-[4-(4-ethoxyphenyl)phenyl]-2-ethyl-4-oxo-butanoic acid CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-[4-(4-ethoxyphenyl)phenyl]-2-ethyl-4-oxobutanoic acid IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-4-[4-(4-ethoxyphenyl)phenyl]-2-ethyl-4-oxobutanoic acid Traditional Name: 2-ethyl-4-keto-2-phthalimido-4-(4-p-phenetylphenyl)butyric acid Formula: C28H25NO6 MolecularWeight: 471.5012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCC)(C(=O)O)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC(CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCC)(C(=O)O)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C28H25NO6/c1-3-28(27(33)34,29-25(31)22-7-5-6-8-23(22)26(29)32)17-24(30)20-11-9-18(10-12-20)19-13-15-21(16-14-19)35-4-2/h5-16H,3-4,17H2,1-2H3,(H,33,34)