[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 1-benzyl-5-oxo-pyrrolidine-3-carboxylate CAS Name: 5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-benzyl-5-keto-pyrrolidine-3-carboxylic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21BrN2O4/c1-14(20(26)23-18-9-7-17(22)8-10-18)28-21(27)16-11-19(25)24(13-16)12-15-5-3-2-4-6-15/h2-10,14,16H,11-13H2,1H3,(H,23,26)