ethyl 4-[(5-bromanyl-2-chloranyl-phenyl)carbonyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]amino]benzoate

Systemtic Name: ethyl 4-[(5-bromanyl-2-chloranyl-phenyl)carbonyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]amino]benzoate Openeye Name: ethyl 4-[(5-bromo-2-chloro-benzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzoate CAS Name: 4-[[(5-bromo-2-chlorophenyl)-oxomethyl]-[(2-oxo-1-pyrrolidinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromo-2-chlorobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzoate Traditional Name: 4-[(5-bromo-2-chloro-benzoyl)-[(2-ketopyrrolidino)methyl]amino]benzoic acid ethyl ester Formula: C21H20BrClN2O4 MolecularWeight: 479.7515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrClN2O4/c1-2-29-21(28)14-5-8-16(9-6-14)25(13-24-11-3-4-19(24)26)20(27)17-12-15(22)7-10-18(17)23/h5-10,12H,2-4,11,13H2,1H3