methyl (2S,4S)-4-[(4-bromophenyl)carbonylamino]-1-ethanoyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-[(4-bromophenyl)carbonylamino]-1-ethanoyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-1-acetyl-4-[(4-bromobenzoyl)amino]pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-acetyl-4-[[(4-bromophenyl)-oxomethyl]amino]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-acetyl-4-[(4-bromobenzoyl)amino]pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-acetyl-4-[(4-bromobenzoyl)amino]pyrrolidine-2-carboxylic acid methyl ester Formula: C15H17BrN2O4 MolecularWeight: 369.21048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)OC)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(=O)N1C[C@H](C[C@H]1C(=O)OC)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H17BrN2O4/c1-9(19)18-8-12(7-13(18)15(21)22-2)17-14(20)10-3-5-11(16)6-4-10/h3-6,12-13H,7-8H2,1-2H3,(H,17,20)/t12-,13-/m0/s1