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

Systemtic Name: 4-[4-(phenylmethyl)piperazin-1-yl]benzoic acid Openeye Name: 4-(4-benzylpiperazin-1-yl)benzoic acid CAS Name: 4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-(4-benzylpiperazin-1-yl)benzoic acid Traditional Name: 4-(4-benzylpiperazino)benzoic acid Formula: C18H20N2O2 MolecularWeight: 296.3636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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