(phenylmethyl) N-[1-[[(2S)-3-cyano-3-methyl-butan-2-yl]oxy-phenoxy-phosphoryl]ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[[(2S)-3-cyano-3-methyl-butan-2-yl]oxy-phenoxy-phosphoryl]ethyl]carbamate Openeye Name: benzyl N-[1-[[(1S)-2-cyano-1,2-dimethyl-propoxy]-phenoxy-phosphoryl]ethyl]carbamate CAS Name: N-[1-[[(2S)-3-cyano-3-methylbutan-2-yl]oxy-phenoxyphosphoryl]ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[[(2S)-3-cyano-3-methylbutan-2-yl]oxy-phenoxyphosphoryl]ethyl]carbamate Traditional Name: N-[1-[[(1S)-2-cyano-1,2-dimethyl-propoxy]-phenoxy-phosphoryl]ethyl]carbamic acid benzyl ester Formula: C22H27N2O5P MolecularWeight: 430.433941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C#N)OP(=O)(C(C)NC(=O)OCC1=CC=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(C)(C)C#N)OP(=O)(C(C)NC(=O)OCC1=CC=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C22H27N2O5P/c1-17(22(3,4)16-23)28-30(26,29-20-13-9-6-10-14-20)18(2)24-21(25)27-15-19-11-7-5-8-12-19/h5-14,17-18H,15H2,1-4H3,(H,24,25)/t17-,18?,30?/m0/s1