2-azanyl-3-(3-fluorophenyl)propanoic acid; methyl hexadecanoate

Systemtic Name: 2-azanyl-3-(3-fluorophenyl)propanoic acid; methyl hexadecanoate Openeye Name: 2-amino-3-(3-fluorophenyl)propanoic acid; methyl hexadecanoate CAS Name: 2-amino-3-(3-fluorophenyl)propanoic acid; hexadecanoic acid methyl ester IUPAC Name: 2-amino-3-(3-fluorophenyl)propanoic acid; methyl hexadecanoate Traditional Name: 2-amino-3-(3-fluorophenyl)propionic acid; palmitic acid methyl ester Formula: C26H44FNO4 MolecularWeight: 453.630263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC.C1=CC(=CC(=C1)F)CC(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC.C1=CC(=CC(=C1)F)CC(C(=O)O)N

InChI

InChI=1S/C17H34O2.C9H10FNO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2;10-7-3-1-2-6(4-7)5-8(11)9(12)13/h3-16H2,1-2H3;1-4,8H,5,11H2,(H,12,13)