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

Systemtic Name: 3-[(3S)-3-(phenylmethyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[(3S)-3-benzylpiperazin-1-yl]benzoic acid CAS Name: 3-[(3S)-3-(phenylmethyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(3S)-3-benzylpiperazin-1-yl]benzoic acid Traditional Name: 3-[(3S)-3-benzylpiperazino]benzoic acid Formula: C18H20N2O2 MolecularWeight: 296.3636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2/c21-18(22)15-7-4-8-17(12-15)20-10-9-19-16(13-20)11-14-5-2-1-3-6-14/h1-8,12,16,19H,9-11,13H2,(H,21,22)/t16-/m0/s1