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

Systemtic Name: 4-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzoic acid Openeye Name: 4-[3-(4-benzylpiperazin-1-yl)propyl]benzoic acid CAS Name: 4-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]benzoic acid IUPAC Name: 4-[3-(4-benzylpiperazin-1-yl)propyl]benzoic acid Traditional Name: 4-[3-(4-benzylpiperazino)propyl]benzoic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCCC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3

InChI

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