4-[4-(5,5-dimethylhexylamino)phenyl]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(5,5-dimethylhexylamino)phenyl]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(5,5-dimethylhexylamino)phenyl]-2,3-dihydroxy-4-oxo-butanoic acid CAS Name: 4-[4-(5,5-dimethylhexylamino)phenyl]-2,3-dihydroxy-4-oxobutanoic acid IUPAC Name: 4-[4-(5,5-dimethylhexylamino)phenyl]-2,3-dihydroxy-4-oxobutanoic acid Traditional Name: 4-[4-(5,5-dimethylhexylamino)phenyl]-2,3-dihydroxy-4-keto-butyric acid Formula: C18H27NO5 MolecularWeight: 337.41068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCCNC1=CC=C(C=C1)C(=O)C(C(C(=O)O)O)O

Isomeric SMILES

CC(C)(C)CCCCNC1=CC=C(C=C1)C(=O)C(C(C(=O)O)O)O

InChI

InChI=1S/C18H27NO5/c1-18(2,3)10-4-5-11-19-13-8-6-12(7-9-13)14(20)15(21)16(22)17(23)24/h6-9,15-16,19,21-22H,4-5,10-11H2,1-3H3,(H,23,24)