2-[4-[(2S)-2-oxidanylpropyl]piperazin-1-yl]benzoic acid

Systemtic Name: 2-[4-[(2S)-2-oxidanylpropyl]piperazin-1-yl]benzoic acid Openeye Name: 2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]benzoic acid CAS Name: 2-[4-[(2S)-2-hydroxypropyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]benzoic acid Traditional Name: 2-[4-[(2S)-2-hydroxypropyl]piperazino]benzoic acid Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)C2=CC=CC=C2C(=O)O)O

Isomeric SMILES

C[C@@H](CN1CCN(CC1)C2=CC=CC=C2C(=O)O)O

InChI

InChI=1S/C14H20N2O3/c1-11(17)10-15-6-8-16(9-7-15)13-5-3-2-4-12(13)14(18)19/h2-5,11,17H,6-10H2,1H3,(H,18,19)/t11-/m0/s1