(1-cyanoindolizin-2-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(p-toluoylamino)butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H23N3O3 MolecularWeight: 389.44702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C23H23N3O3/c1-15(2)21(25-22(27)17-9-7-16(3)8-10-17)23(28)29-14-18-13-26-11-5-4-6-20(26)19(18)12-24/h4-11,13,15,21H,14H2,1-3H3,(H,25,27)/t21-/m0/s1