(1-cyanoindolizin-2-yl)methyl (2R)-2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (2R)-2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2R)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2R)-2-[(2-chlorobenzoyl)amino]-3-methyl-butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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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=C3Cl

Isomeric SMILES

CC(C)[C@H](C(=O)OCC1=CN2C=CC=CC2=C1C#N)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H20ClN3O3/c1-14(2)20(25-21(27)16-7-3-4-8-18(16)23)22(28)29-13-15-12-26-10-6-5-9-19(26)17(15)11-24/h3-10,12,14,20H,13H2,1-2H3,(H,25,27)/t20-/m1/s1