3-chloranyl-3-[3-(hexadecanoylamino)phenyl]-2-oxidanylidene-propanoic acid

Systemtic Name: 3-chloranyl-3-[3-(hexadecanoylamino)phenyl]-2-oxidanylidene-propanoic acid Openeye Name: 3-chloro-3-[3-(hexadecanoylamino)phenyl]-2-oxo-propanoic acid CAS Name: 3-chloro-2-oxo-3-[3-(1-oxohexadecylamino)phenyl]propanoic acid IUPAC Name: 3-chloro-3-[3-(hexadecanoylamino)phenyl]-2-oxopropanoic acid Traditional Name: 3-chloro-2-keto-3-(3-palmitamidophenyl)propionic acid Formula: C25H38ClNO4 MolecularWeight: 452.02652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C(C(=O)C(=O)O)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C(C(=O)C(=O)O)Cl

InChI

InChI=1S/C25H38ClNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22(28)27-21-17-15-16-20(19-21)23(26)24(29)25(30)31/h15-17,19,23H,2-14,18H2,1H3,(H,27,28)(H,30,31)