ethyl 2-[2-[(4-tert-butylphenyl)methyl]-1-cyano-3-oxidanylidene-isoindol-1-yl]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[2-[(4-tert-butylphenyl)methyl]-1-cyano-3-oxidanylidene-isoindol-1-yl]-2-cyano-ethanoate Openeye Name: ethyl 2-[2-[(4-tert-butylphenyl)methyl]-1-cyano-3-oxo-isoindolin-1-yl]-2-cyano-acetate CAS Name: 2-[2-[(4-tert-butylphenyl)methyl]-1-cyano-3-oxo-1-isoindolyl]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-tert-butylphenyl)methyl]-1-cyano-3-oxoisoindol-1-yl]-2-cyanoacetate Traditional Name: 2-[2-(4-tert-butylbenzyl)-1-cyano-3-keto-isoindolin-1-yl]-2-cyano-acetic acid ethyl ester Formula: C25H25N3O3 MolecularWeight: 415.4843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)C(C)(C)C)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)C(C)(C)C)C#N

InChI

InChI=1S/C25H25N3O3/c1-5-31-23(30)21(14-26)25(16-27)20-9-7-6-8-19(20)22(29)28(25)15-17-10-12-18(13-11-17)24(2,3)4/h6-13,21H,5,15H2,1-4H3