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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(C[C@@H](N1)CC2=CC=CC=C2)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H22N2O2/c22-19(23)17-8-4-7-16(11-17)13-21-10-9-20-18(14-21)12-15-5-2-1-3-6-15/h1-8,11,18,20H,9-10,12-14H2,(H,22,23)/t18-/m0/s1