[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] (3S)-5-oxo-1-phenethyl-pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-phenethyl-3-pyrrolidinecarboxylic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] (3S)-5-oxo-1-phenethylpyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-phenethyl-pyrrolidine-3-carboxylic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1[C@@H](CN(C1=O)CCC2=CC=CC=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H21BrN2O4/c22-17-7-4-8-18(12-17)23-19(25)14-28-21(27)16-11-20(26)24(13-16)10-9-15-5-2-1-3-6-15/h1-8,12,16H,9-11,13-14H2,(H,23,25)/t16-/m0/s1