4-[2-(4-phenethylpiperazin-1-yl)ethyl]benzoic acid

Systemtic Name: 4-[2-(4-phenethylpiperazin-1-yl)ethyl]benzoic acid Openeye Name: 4-[2-(4-phenethylpiperazin-1-yl)ethyl]benzoic acid CAS Name: 4-[2-(4-phenethyl-1-piperazinyl)ethyl]benzoic acid IUPAC Name: 4-[2-(4-phenethylpiperazin-1-yl)ethyl]benzoic acid Traditional Name: 4-[2-(4-phenethylpiperazino)ethyl]benzoic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)CCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)CCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H26N2O2/c24-21(25)20-8-6-19(7-9-20)11-13-23-16-14-22(15-17-23)12-10-18-4-2-1-3-5-18/h1-9H,10-17H2,(H,24,25)