(1-cyanoindolizin-2-yl)methyl (2R)-2-[(2,4-dichlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (2R)-2-[(2,4-dichlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2R)-2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methyl-butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H19Cl2N3O3 MolecularWeight: 444.31056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19Cl2N3O3/c1-13(2)20(26-21(28)16-7-6-15(23)9-18(16)24)22(29)30-12-14-11-27-8-4-3-5-19(27)17(14)10-25/h3-9,11,13,20H,12H2,1-2H3,(H,26,28)/t20-/m1/s1