[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 1-benzyl-5-oxo-pyrrolidine-3-carboxylate CAS Name: 5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-benzyl-5-keto-pyrrolidine-3-carboxylic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3

InChI

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