(1-cyanoindolizin-2-yl)methyl 2-(4-tert-butylphenoxy)ethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-(4-tert-butylphenoxy)ethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C22H22N2O3/c1-22(2,3)17-7-9-18(10-8-17)26-15-21(25)27-14-16-13-24-11-5-4-6-20(24)19(16)12-23/h4-11,13H,14-15H2,1-3H3