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

Systemtic Name: (E)-4-[(2S)-2-(2-butoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(2S)-2-(2-butoxy-2-oxo-ethyl)-3-oxo-piperazin-1-yl]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(2S)-2-(2-butoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(2S)-2-(2-butoxy-2-oxoethyl)-3-oxopiperazin-1-yl]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(2S)-2-(2-butoxy-2-keto-ethyl)-3-keto-piperazino]-4-keto-but-2-enoic acid Formula: C14H20N2O6 MolecularWeight: 312.3184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H20N2O6/c1-2-3-8-22-13(20)9-10-14(21)15-6-7-16(10)11(17)4-5-12(18)19/h4-5,10H,2-3,6-9H2,1H3,(H,15,21)(H,18,19)/b5-4+/t10-/m0/s1