8-[[5-[(2-ethoxyethanoylamino)methyl]-2-oxidanyl-phenyl]carbonylamino]octanoic acid

Systemtic Name: 8-[[5-[(2-ethoxyethanoylamino)methyl]-2-oxidanyl-phenyl]carbonylamino]octanoic acid Openeye Name: 8-[[5-[[(2-ethoxyacetyl)amino]methyl]-2-hydroxy-benzoyl]amino]octanoic acid CAS Name: 8-[[[5-[[(2-ethoxy-1-oxoethyl)amino]methyl]-2-hydroxyphenyl]-oxomethyl]amino]octanoic acid IUPAC Name: 8-[[5-[[(2-ethoxyacetyl)amino]methyl]-2-hydroxybenzoyl]amino]octanoic acid Traditional Name: 8-[[5-[[(2-ethoxyacetyl)amino]methyl]-2-hydroxy-benzoyl]amino]caprylic acid Formula: C20H30N2O6 MolecularWeight: 394.462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)NCC1=CC(=C(C=C1)O)C(=O)NCCCCCCCC(=O)O

Isomeric SMILES

CCOCC(=O)NCC1=CC(=C(C=C1)O)C(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C20H30N2O6/c1-2-28-14-18(24)22-13-15-9-10-17(23)16(12-15)20(27)21-11-7-5-3-4-6-8-19(25)26/h9-10,12,23H,2-8,11,13-14H2,1H3,(H,21,27)(H,22,24)(H,25,26)