(1-cyanoindolizin-2-yl)methyl 3-acetamido-3-(4-methoxyphenyl)propanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)propanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC1=CN2C=CC=CC2=C1C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)NC(CC(=O)OCC1=CN2C=CC=CC2=C1C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21N3O4/c1-15(26)24-20(16-6-8-18(28-2)9-7-16)11-22(27)29-14-17-13-25-10-4-3-5-21(25)19(17)12-23/h3-10,13,20H,11,14H2,1-2H3,(H,24,26)