tert-butyl 4-[4-[6-(2-azanylethanoyl)-4-(dioxidanyl)cyclohexa-1,5-dien-1-yl]-4-oxidanylidene-butyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[6-(2-azanylethanoyl)-4-(dioxidanyl)cyclohexa-1,5-dien-1-yl]-4-oxidanylidene-butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[6-(2-aminoacetyl)-4-hydroperoxy-cyclohexa-1,5-dien-1-yl]-4-oxo-butyl]piperidine-1-carboxylate CAS Name: 4-[4-[6-(2-amino-1-oxoethyl)-4-hydroperoxy-1-cyclohexa-1,5-dienyl]-4-oxobutyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[6-(2-aminoacetyl)-4-hydroperoxycyclohexa-1,5-dien-1-yl]-4-oxobutyl]piperidine-1-carboxylate Traditional Name: 4-[4-(6-glycyl-4-hydroperoxy-cyclohexa-1,5-dien-1-yl)-4-keto-butyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H34N2O6 MolecularWeight: 422.51516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCCC(=O)C2=CCC(C=C2C(=O)CN)OO

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCC(=O)C2=CCC(C=C2C(=O)CN)OO

InChI

InChI=1S/C22H34N2O6/c1-22(2,3)29-21(27)24-11-9-15(10-12-24)5-4-6-19(25)17-8-7-16(30-28)13-18(17)20(26)14-23/h8,13,15-16,28H,4-7,9-12,14,23H2,1-3H3