4-[2-(piperazin-1-ylmethyl)phenyl]benzoic acid

Systemtic Name: 4-[2-(piperazin-1-ylmethyl)phenyl]benzoic acid Openeye Name: 4-[2-(piperazin-1-ylmethyl)phenyl]benzoic acid CAS Name: 4-[2-(1-piperazinylmethyl)phenyl]benzoic acid IUPAC Name: 4-[2-(piperazin-1-ylmethyl)phenyl]benzoic acid Traditional Name: 4-[2-(piperazinomethyl)phenyl]benzoic acid Formula: C18H20N2O2 MolecularWeight: 296.3636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC=CC=C2C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1)CC2=CC=CC=C2C3=CC=C(C=C3)C(=O)O

InChI

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