2-[2-(2-butan-2-yloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[2-(2-butan-2-yloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbonylbenzoic acid Openeye Name: 2-[3-oxo-2-(2-oxo-2-sec-butoxy-ethyl)piperazine-1-carbonyl]benzoic acid CAS Name: 2-[[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxo-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]benzoic acid Traditional Name: 2-[3-keto-2-(2-keto-2-sec-butoxy-ethyl)piperazine-1-carbonyl]benzoic acid Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H22N2O6/c1-3-11(2)26-15(21)10-14-16(22)19-8-9-20(14)17(23)12-6-4-5-7-13(12)18(24)25/h4-7,11,14H,3,8-10H2,1-2H3,(H,19,22)(H,24,25)