5-bromanyl-2-[[(3S)-piperidin-3-yl]amino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[(3S)-piperidin-3-yl]amino]benzoic acid Openeye Name: 5-bromo-2-[[(3S)-3-piperidyl]amino]benzoic acid CAS Name: 5-bromo-2-[[(3S)-3-piperidinyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[(3S)-piperidin-3-yl]amino]benzoic acid Traditional Name: 5-bromo-2-[[(3S)-3-piperidyl]amino]benzoic acid Formula: C12H15BrN2O2 MolecularWeight: 299.1637

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1C[C@@H](CNC1)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C12H15BrN2O2/c13-8-3-4-11(10(6-8)12(16)17)15-9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2,(H,16,17)/t9-/m0/s1