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

Systemtic Name: (E)-4-[2-[2-(3-methylbutoxy)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-(2-isopentyloxy-2-oxo-ethyl)-3-oxo-piperazin-1-yl]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-[2-(3-methylbutoxy)-2-oxoethyl]-3-oxo-1-piperazinyl]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-[2-(3-methylbutoxy)-2-oxoethyl]-3-oxopiperazin-1-yl]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-(2-isoamoxy-2-keto-ethyl)-3-keto-piperazino]-4-keto-but-2-enoic acid Formula: C15H22N2O6 MolecularWeight: 326.34498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H22N2O6/c1-10(2)5-8-23-14(21)9-11-15(22)16-6-7-17(11)12(18)3-4-13(19)20/h3-4,10-11H,5-9H2,1-2H3,(H,16,22)(H,19,20)/b4-3+