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

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-acetamido-3-(p-tolyl)propanoate CAS Name: 3-acetamido-3-(4-methylphenyl)propanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate Traditional Name: 3-acetamido-3-(p-tolyl)propionic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OCC2=CN3C=CC=CC3=C2C#N)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OCC2=CN3C=CC=CC3=C2C#N)NC(=O)C

InChI

InChI=1S/C22H21N3O3/c1-15-6-8-17(9-7-15)20(24-16(2)26)11-22(27)28-14-18-13-25-10-4-3-5-21(25)19(18)12-23/h3-10,13,20H,11,14H2,1-2H3,(H,24,26)