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

Systemtic Name: 4-[4-(2-ethyldodecylamino)phenyl]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(2-ethyldodecylamino)phenyl]-2,3-dihydroxy-4-oxo-butanoic acid CAS Name: 4-[4-(2-ethyldodecylamino)phenyl]-2,3-dihydroxy-4-oxobutanoic acid IUPAC Name: 4-[4-(2-ethyldodecylamino)phenyl]-2,3-dihydroxy-4-oxobutanoic acid Traditional Name: 4-[4-(2-ethyldodecylamino)phenyl]-2,3-dihydroxy-4-keto-butyric acid Formula: C24H39NO5 MolecularWeight: 421.57016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CC)CNC1=CC=C(C=C1)C(=O)C(C(C(=O)O)O)O

Isomeric SMILES

CCCCCCCCCCC(CC)CNC1=CC=C(C=C1)C(=O)C(C(C(=O)O)O)O

InChI

InChI=1S/C24H39NO5/c1-3-5-6-7-8-9-10-11-12-18(4-2)17-25-20-15-13-19(14-16-20)21(26)22(27)23(28)24(29)30/h13-16,18,22-23,25,27-28H,3-12,17H2,1-2H3,(H,29,30)