7-[[4-(1-oxidanylhexyl)phenyl]methyl-propanoyl-amino]heptanoic acid

Systemtic Name: 7-[[4-(1-oxidanylhexyl)phenyl]methyl-propanoyl-amino]heptanoic acid Openeye Name: 7-[[4-(1-hydroxyhexyl)phenyl]methyl-propanoyl-amino]heptanoic acid CAS Name: 7-[[4-(1-hydroxyhexyl)phenyl]methyl-(1-oxopropyl)amino]heptanoic acid IUPAC Name: 7-[[4-(1-hydroxyhexyl)phenyl]methyl-propanoylamino]heptanoic acid Traditional Name: 7-[[4-(1-hydroxyhexyl)benzyl]-propionyl-amino]enanthic acid Formula: C23H37NO4 MolecularWeight: 391.54418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)CN(CCCCCCC(=O)O)C(=O)CC)O

Isomeric SMILES

CCCCCC(C1=CC=C(C=C1)CN(CCCCCCC(=O)O)C(=O)CC)O

InChI

InChI=1S/C23H37NO4/c1-3-5-8-11-21(25)20-15-13-19(14-16-20)18-24(22(26)4-2)17-10-7-6-9-12-23(27)28/h13-16,21,25H,3-12,17-18H2,1-2H3,(H,27,28)