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

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3/c1-14(26)24-19(15-5-7-17(22)8-6-15)10-21(27)28-13-16-12-25-9-3-2-4-20(25)18(16)11-23/h2-9,12,19H,10,13H2,1H3,(H,24,26)