1-[(E)-2-(4-bromophenyl)carbonylbut-2-enyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(E)-2-(4-bromophenyl)carbonylbut-2-enyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(E)-2-(4-bromobenzoyl)but-2-enyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-2-[(4-bromophenyl)-oxomethyl]but-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(E)-2-(4-bromobenzoyl)but-2-enyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(E)-2-(4-bromobenzoyl)but-2-enyl]proline Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CN1CCCC1C(=O)O)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C/C=C(\CN1CCCC1C(=O)O)/C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H18BrNO3/c1-2-11(10-18-9-3-4-14(18)16(20)21)15(19)12-5-7-13(17)8-6-12/h2,5-8,14H,3-4,9-10H2,1H3,(H,20,21)/b11-2+