ethyl 4-[(3-bromophenyl)carbonyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]amino]benzoate

Systemtic Name: ethyl 4-[(3-bromophenyl)carbonyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]amino]benzoate Openeye Name: ethyl 4-[(3-bromobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzoate CAS Name: 4-[[(3-bromophenyl)-oxomethyl]-[(2-oxo-1-pyrrolidinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-bromobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzoate Traditional Name: 4-[(3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O4/c1-2-28-21(27)15-8-10-18(11-9-15)24(14-23-12-4-7-19(23)25)20(26)16-5-3-6-17(22)13-16/h3,5-6,8-11,13H,2,4,7,12,14H2,1H3