3-[[[(Z)-4-oxidanyl-4-oxidanylidene-but-2-enyl]amino]methyl]heptanoic acid

Systemtic Name: 3-[[[(Z)-4-oxidanyl-4-oxidanylidene-but-2-enyl]amino]methyl]heptanoic acid Openeye Name: 3-[[[(Z)-4-hydroxy-4-oxo-but-2-enyl]amino]methyl]heptanoic acid CAS Name: 3-[[[(Z)-4-hydroxy-4-oxobut-2-enyl]amino]methyl]heptanoic acid IUPAC Name: 3-[[[(Z)-4-hydroxy-4-oxobut-2-enyl]amino]methyl]heptanoic acid Traditional Name: 3-[[[(Z)-4-hydroxy-4-keto-but-2-enyl]amino]methyl]enanthic acid Formula: C12H21NO4 MolecularWeight: 243.29944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)O)CNCC=CC(=O)O

Isomeric SMILES

CCCCC(CC(=O)O)CNC/C=C\C(=O)O

InChI

InChI=1S/C12H21NO4/c1-2-3-5-10(8-12(16)17)9-13-7-4-6-11(14)15/h4,6,10,13H,2-3,5,7-9H2,1H3,(H,14,15)(H,16,17)/b6-4-