[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate CAS Name: 3-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate Traditional Name: 3-[(2-ketopyrrolidino)methyl]benzoic 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)C2=CC(=CC=C2)CN3CCCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=CC(=CC=C2)CN3CCCC3=O

InChI

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