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

Systemtic Name: 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(3-bromophenyl)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-(3-bromobenzyl)piperazino]acetic acid Formula: C13H17BrN2O2 MolecularWeight: 313.19028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Br)CC(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Br)CC(=O)O

InChI

InChI=1S/C13H17BrN2O2/c14-12-3-1-2-11(8-12)9-15-4-6-16(7-5-15)10-13(17)18/h1-3,8H,4-7,9-10H2,(H,17,18)