3-[[4-(phenylmethyl)piperazin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-(phenylmethyl)piperazin-1-yl]methyl]benzoic acid Openeye Name: 3-[(4-benzylpiperazin-1-yl)methyl]benzoic acid CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-[(4-benzylpiperazin-1-yl)methyl]benzoic acid Traditional Name: 3-[(4-benzylpiperazino)methyl]benzoic acid Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H22N2O2/c22-19(23)18-8-4-7-17(13-18)15-21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,22,23)