4-[4-[4-(8-bromanyloctoxy)phenyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[4-(8-bromanyloctoxy)phenyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[4-(8-bromooctoxy)phenyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[4-(8-bromooctoxy)phenyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[4-(8-bromooctoxy)phenyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[4-(8-bromooctoxy)phenyl]piperazino]benzoic acid Formula: C25H33BrN2O3 MolecularWeight: 489.44512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)OCCCCCCCCBr

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)OCCCCCCCCBr

InChI

InChI=1S/C25H33BrN2O3/c26-15-5-3-1-2-4-6-20-31-24-13-11-23(12-14-24)28-18-16-27(17-19-28)22-9-7-21(8-10-22)25(29)30/h7-14H,1-6,15-20H2,(H,29,30)