2-(aminomethyl)-4-[2,5-bis(fluoranyl)phenyl]hexanoic acid

Systemtic Name: 2-(aminomethyl)-4-[2,5-bis(fluoranyl)phenyl]hexanoic acid Openeye Name: 2-(aminomethyl)-4-(2,5-difluorophenyl)hexanoic acid CAS Name: 2-(aminomethyl)-4-(2,5-difluorophenyl)hexanoic acid IUPAC Name: 2-(aminomethyl)-4-(2,5-difluorophenyl)hexanoic acid Traditional Name: 2-(aminomethyl)-4-(2,5-difluorophenyl)hexanoic acid Formula: C13H17F2NO2 MolecularWeight: 257.276386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CN)C(=O)O)C1=C(C=CC(=C1)F)F

Isomeric SMILES

CCC(CC(CN)C(=O)O)C1=C(C=CC(=C1)F)F

InChI

InChI=1S/C13H17F2NO2/c1-2-8(5-9(7-16)13(17)18)11-6-10(14)3-4-12(11)15/h3-4,6,8-9H,2,5,7,16H2,1H3,(H,17,18)