2,6-bis(azanyl)hexanoate; 2-(3-fluoranyl-4-phenyl-phenyl)propanoic acid

Systemtic Name: 2,6-bis(azanyl)hexanoate; 2-(3-fluoranyl-4-phenyl-phenyl)propanoic acid Openeye Name: 2,6-diaminohexanoate; 2-(3-fluoro-4-phenyl-phenyl)propanoic acid CAS Name: 2,6-diaminohexanoate; 2-(3-fluoro-4-phenylphenyl)propanoic acid IUPAC Name: 2,6-diaminohexanoate; 2-(3-fluoro-4-phenylphenyl)propanoic acid Traditional Name: 2,6-diaminohexanoate; 2-(3-fluoro-4-phenyl-phenyl)propionic acid Formula: C21H26FN2O4- MolecularWeight: 389.440543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O.C(CCN)CC(C(=O)[O-])N

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O.C(CCN)CC(C(=O)[O-])N

InChI

InChI=1S/C15H13FO2.C6H14N2O2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;7-4-2-1-3-5(8)6(9)10/h2-10H,1H3,(H,17,18);5H,1-4,7-8H2,(H,9,10)/p-1