tert-butyl 4-[4-[2,3-ditert-butyl-4-(dioxidanyl)-6-ethanoyl-cyclohexa-1,5-dien-1-yl]-3-oxidanylidene-piperazin-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2,3-ditert-butyl-4-(dioxidanyl)-6-ethanoyl-cyclohexa-1,5-dien-1-yl]-3-oxidanylidene-piperazin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(6-acetyl-2,3-ditert-butyl-4-hydroperoxy-cyclohexa-1,5-dien-1-yl)-3-oxo-piperazin-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(6-acetyl-2,3-ditert-butyl-4-hydroperoxy-1-cyclohexa-1,5-dienyl)-3-oxo-1-piperazinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(6-acetyl-2,3-ditert-butyl-4-hydroperoxycyclohexa-1,5-dien-1-yl)-3-oxopiperazin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(6-acetyl-2,3-ditert-butyl-4-hydroperoxy-cyclohexa-1,5-dien-1-yl)-3-keto-piperazino]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H49N3O6 MolecularWeight: 547.72656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(C(C(=C1N2CCN(CC2=O)C3CCN(CC3)C(=O)OC(C)(C)C)C(C)(C)C)C(C)(C)C)OO

Isomeric SMILES

CC(=O)C1=CC(C(C(=C1N2CCN(CC2=O)C3CCN(CC3)C(=O)OC(C)(C)C)C(C)(C)C)C(C)(C)C)OO

InChI

InChI=1S/C30H49N3O6/c1-19(34)21-17-22(39-37)24(28(2,3)4)25(29(5,6)7)26(21)33-16-15-32(18-23(33)35)20-11-13-31(14-12-20)27(36)38-30(8,9)10/h17,20,22,24,37H,11-16,18H2,1-10H3