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

Systemtic Name: 3-[4-[(3-bromophenyl)methyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(3-bromophenyl)methyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(3-bromophenyl)methyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(3-bromophenyl)methyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3-bromobenzyl)piperazino]propionic acid Formula: C14H19BrN2O2 MolecularWeight: 327.21686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)CC2=CC(=CC=C2)Br

Isomeric SMILES

C1CN(CCN1CCC(=O)O)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H19BrN2O2/c15-13-3-1-2-12(10-13)11-17-8-6-16(7-9-17)5-4-14(18)19/h1-3,10H,4-9,11H2,(H,18,19)