tert-butyl 4-[[2-[3-(dioxidanyl)cyclohexa-1,5-dien-1-yl]-2-oxidanylidene-ethyl]-ethanoyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[3-(dioxidanyl)cyclohexa-1,5-dien-1-yl]-2-oxidanylidene-ethyl]-ethanoyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[acetyl-[2-(3-hydroperoxycyclohexa-1,5-dien-1-yl)-2-oxo-ethyl]amino]piperidine-1-carboxylate CAS Name: 4-[acetyl-[2-(3-hydroperoxy-1-cyclohexa-1,5-dienyl)-2-oxoethyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[acetyl-[2-(3-hydroperoxycyclohexa-1,5-dien-1-yl)-2-oxoethyl]amino]piperidine-1-carboxylate Traditional Name: 4-[acetyl-[2-(3-hydroperoxycyclohexa-1,5-dien-1-yl)-2-keto-ethyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC(=O)C1=CC(CC=C1)OO)C2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)N(CC(=O)C1=CC(CC=C1)OO)C2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H30N2O6/c1-14(23)22(13-18(24)15-6-5-7-17(12-15)28-26)16-8-10-21(11-9-16)19(25)27-20(2,3)4/h5-6,12,16-17,26H,7-11,13H2,1-4H3