(1-cyanoindolizin-2-yl)methyl (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-benzamido-3-methyl-butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CN2C=CC=CC2=C1C#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3/c1-15(2)20(24-21(26)16-8-4-3-5-9-16)22(27)28-14-17-13-25-11-7-6-10-19(25)18(17)12-23/h3-11,13,15,20H,14H2,1-2H3,(H,24,26)/t20-/m0/s1