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

Systemtic Name: (phenylmethyl) (2S)-2-[[(3-bromophenyl)-cyano-methyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[(3-bromophenyl)-cyano-methyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(3-bromophenyl)-cyanomethyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(3-bromophenyl)-cyanomethyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(3-bromophenyl)-cyano-methyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(C#N)C3=CC(=CC=C3)Br

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(C#N)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H20BrN3O3/c22-17-9-4-8-16(12-17)18(13-23)24-20(26)19-10-5-11-25(19)21(27)28-14-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,14H2,(H,24,26)/t18?,19-/m0/s1