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3-[3-(piperazin-1-ylmethyl)phenyl]benzoic acid

3-[3-(piperazin-1-ylmethyl)phenyl]benzoic acid

Systemtic Name:3-[3-(piperazin-1-ylmethyl)phenyl]benzoic acid
Openeye Name:3-[3-(piperazin-1-ylmethyl)phenyl]benzoic acid
CAS Name:3-[3-(1-piperazinylmethyl)phenyl]benzoic acid
IUPAC Name:3-[3-(piperazin-1-ylmethyl)phenyl]benzoic acid
Traditional Name:3-[3-(piperazinomethyl)phenyl]benzoic acid
Formula: C18H20N2O2
MolecularWeight: 296.3636
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)O


Isomeric SMILES

C1CN(CCN1)CC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)O


InChI

InChI=1S/C18H20N2O2/c21-18(22)17-6-2-5-16(12-17)15-4-1-3-14(11-15)13-20-9-7-19-8-10-20/h1-6,11-12,19H,7-10,13H2,(H,21,22)


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