2-azanyl-3-(3-fluorophenyl)propanoic acid; N'-hexadecanoylpyridine-4-carbohydrazide

Systemtic Name: 2-azanyl-3-(3-fluorophenyl)propanoic acid; N'-hexadecanoylpyridine-4-carbohydrazide Openeye Name: 2-amino-3-(3-fluorophenyl)propanoic acid; N'-hexadecanoylpyridine-4-carbohydrazide CAS Name: 2-amino-3-(3-fluorophenyl)propanoic acid; N'-(1-oxohexadecyl)-4-pyridinecarbohydrazide IUPAC Name: 2-amino-3-(3-fluorophenyl)propanoic acid; N'-hexadecanoylpyridine-4-carbohydrazide Traditional Name: 2-amino-3-(3-fluorophenyl)propionic acid; N'-hexadecanoylisonicotinohydrazide Formula: C31H47FN4O4 MolecularWeight: 558.727683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NNC(=O)C1=CC=NC=C1.C1=CC(=CC(=C1)F)CC(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NNC(=O)C1=CC=NC=C1.C1=CC(=CC(=C1)F)CC(C(=O)O)N

InChI

InChI=1S/C22H37N3O2.C9H10FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(26)24-25-22(27)20-16-18-23-19-17-20;10-7-3-1-2-6(4-7)5-8(11)9(12)13/h16-19H,2-15H2,1H3,(H,24,26)(H,25,27);1-4,8H,5,11H2,(H,12,13)