4-[4-(hexadecan-2-ylamino)phenyl]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(hexadecan-2-ylamino)phenyl]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid Openeye Name: 2,3-dihydroxy-4-[4-(1-methylpentadecylamino)phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-(hexadecan-2-ylamino)phenyl]-2,3-dihydroxy-4-oxobutanoic acid IUPAC Name: 4-[4-(hexadecan-2-ylamino)phenyl]-2,3-dihydroxy-4-oxobutanoic acid Traditional Name: 2,3-dihydroxy-4-keto-4-[4-(1-methylpentadecylamino)phenyl]butyric acid Formula: C26H43NO5 MolecularWeight: 449.62332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)C(=O)C(C(C(=O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)C(=O)C(C(C(=O)O)O)O

InChI

InChI=1S/C26H43NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(2)27-22-18-16-21(17-19-22)23(28)24(29)25(30)26(31)32/h16-20,24-25,27,29-30H,3-15H2,1-2H3,(H,31,32)