(phenylmethyl) (2S)-2-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(4-bromo-2-fluoro-phenyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(4-bromo-2-fluoroanilino)-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(4-bromo-2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(4-bromo-2-fluoro-phenyl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C19H18BrFN2O3 MolecularWeight: 421.260223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H18BrFN2O3/c20-14-8-9-16(15(21)11-14)22-18(24)17-7-4-10-23(17)19(25)26-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17H,4,7,10,12H2,(H,22,24)/t17-/m0/s1