2-[4-(3-bromophenyl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(3-bromophenyl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(3-bromobenzoyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(3-bromophenyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(3-bromobenzoyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(3-bromobenzoyl)piperazino]acetic acid Formula: C13H15BrN2O3 MolecularWeight: 327.1738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C13H15BrN2O3/c14-11-3-1-2-10(8-11)13(19)16-6-4-15(5-7-16)9-12(17)18/h1-3,8H,4-7,9H2,(H,17,18)