[2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-benzamido-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-benzamido-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2,3-dimethyl-anilino)-2-oxo-ethyl] 1-benzamido-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-benzamido-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] 1-benzamido-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-benzamido-5-keto-pyrrolidine-3-carboxylic acid [2-(4-bromo-2,3-dimethyl-anilino)-2-keto-ethyl] ester Formula: C22H22BrN3O5 MolecularWeight: 488.33118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)NC(=O)COC(=O)C2CC(=O)N(C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)NC(=O)COC(=O)C2CC(=O)N(C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22BrN3O5/c1-13-14(2)18(9-8-17(13)23)24-19(27)12-31-22(30)16-10-20(28)26(11-16)25-21(29)15-6-4-3-5-7-15/h3-9,16H,10-12H2,1-2H3,(H,24,27)(H,25,29)