4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)piperidin-1-yl]-3-fluoranyl-benzoic acid

Systemtic Name: 4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)piperidin-1-yl]-3-fluoranyl-benzoic acid Openeye Name: 4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)-1-piperidyl]-3-fluoro-benzoic acid CAS Name: 4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)-1-piperidinyl]-3-fluorobenzoic acid IUPAC Name: 4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)piperidin-1-yl]-3-fluorobenzoic acid Traditional Name: 3-fluoro-4-[4-(2-imidazolin-2-ylamino)piperidino]benzoic acid Formula: C15H19FN4O2 MolecularWeight: 306.335363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NCCN2)C3=C(C=C(C=C3)C(=O)O)F

Isomeric SMILES

C1CN(CCC1NC2=NCCN2)C3=C(C=C(C=C3)C(=O)O)F

InChI

InChI=1S/C15H19FN4O2/c16-12-9-10(14(21)22)1-2-13(12)20-7-3-11(4-8-20)19-15-17-5-6-18-15/h1-2,9,11H,3-8H2,(H,21,22)(H2,17,18,19)