(phenylmethyl) (2S,3R)-2-[[(3-bromophenyl)-cyano-methyl]carbamoyl]-3-methyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,3R)-2-[[(3-bromophenyl)-cyano-methyl]carbamoyl]-3-methyl-pyrrolidine-1-carboxylate Openeye Name: benzyl (2S,3R)-2-[[(3-bromophenyl)-cyano-methyl]carbamoyl]-3-methyl-pyrrolidine-1-carboxylate CAS Name: (2S,3R)-2-[[[(3-bromophenyl)-cyanomethyl]amino]-oxomethyl]-3-methyl-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-2-[[(3-bromophenyl)-cyanomethyl]carbamoyl]-3-methylpyrrolidine-1-carboxylate Traditional Name: (2S,3R)-2-[[(3-bromophenyl)-cyano-methyl]carbamoyl]-3-methyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1C(=O)NC(C#N)C2=CC(=CC=C2)Br)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CCN([C@@H]1C(=O)NC(C#N)C2=CC(=CC=C2)Br)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22BrN3O3/c1-15-10-11-26(22(28)29-14-16-6-3-2-4-7-16)20(15)21(27)25-19(13-24)17-8-5-9-18(23)12-17/h2-9,12,15,19-20H,10-11,14H2,1H3,(H,25,27)/t15-,19?,20+/m1/s1