(E)-4-oxidanylidene-4-[3-oxidanylidene-2-(2-oxidanylidene-2-pentoxy-ethyl)piperazin-1-yl]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[3-oxidanylidene-2-(2-oxidanylidene-2-pentoxy-ethyl)piperazin-1-yl]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[3-oxo-2-(2-oxo-2-pentoxy-ethyl)piperazin-1-yl]but-2-enoic acid CAS Name: (E)-4-oxo-4-[3-oxo-2-(2-oxo-2-pentoxyethyl)-1-piperazinyl]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[3-oxo-2-(2-oxo-2-pentoxyethyl)piperazin-1-yl]but-2-enoic acid Traditional Name: (E)-4-[2-(2-amoxy-2-keto-ethyl)-3-keto-piperazino]-4-keto-but-2-enoic acid Formula: C15H22N2O6 MolecularWeight: 326.34498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C=CC(=O)O

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H22N2O6/c1-2-3-4-9-23-14(21)10-11-15(22)16-7-8-17(11)12(18)5-6-13(19)20/h5-6,11H,2-4,7-10H2,1H3,(H,16,22)(H,19,20)/b6-5+