3-[4-(hexadecylamino)phenyl]-2-oxidanyl-3-oxidanylidene-propanoate

Systemtic Name: 3-[4-(hexadecylamino)phenyl]-2-oxidanyl-3-oxidanylidene-propanoate Openeye Name: 3-[4-(hexadecylamino)phenyl]-2-hydroxy-3-oxo-propanoate CAS Name: 3-[4-(hexadecylamino)phenyl]-2-hydroxy-3-oxopropanoate IUPAC Name: 3-[4-(hexadecylamino)phenyl]-2-hydroxy-3-oxopropanoate Traditional Name: 3-[4-(cetylamino)phenyl]-2-hydroxy-3-keto-propionate Formula: C25H40NO4- MolecularWeight: 418.5894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(=O)[O-])O

InChI

InChI=1S/C25H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-22-18-16-21(17-19-22)23(27)24(28)25(29)30/h16-19,24,26,28H,2-15,20H2,1H3,(H,29,30)/p-1