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

Systemtic Name: 4-[(3S)-3-(phenylmethyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[(3S)-3-benzylpiperazin-1-yl]benzoic acid CAS Name: 4-[(3S)-3-(phenylmethyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[(3S)-3-benzylpiperazin-1-yl]benzoic acid Traditional Name: 4-[(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=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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