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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(CC2)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCN(CC2)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H22N2O2/c1-15(16-6-3-2-4-7-16)20-10-12-21(13-11-20)18-9-5-8-17(14-18)19(22)23/h2-9,14-15H,10-13H2,1H3,(H,22,23)