ethyl 4-[(4-bromophenyl)carbonyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]amino]benzoate

Systemtic Name: ethyl 4-[(4-bromophenyl)carbonyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]amino]benzoate Openeye Name: ethyl 4-[(4-bromobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzoate CAS Name: 4-[[(4-bromophenyl)-oxomethyl]-[(2-oxo-1-pyrrolidinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzoate Traditional Name: 4-[(4-bromobenzoyl)-[(2-ketopyrrolidino)methyl]amino]benzoic acid ethyl ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CN2CCCC2=O)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CN2CCCC2=O)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O4/c1-2-28-21(27)16-7-11-18(12-8-16)24(14-23-13-3-4-19(23)25)20(26)15-5-9-17(22)10-6-15/h5-12H,2-4,13-14H2,1H3