tert-butyl 2-oxidanylidene-3-[oxidanyl-[1-(triphenylmethyl)imidazol-4-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-oxidanylidene-3-[oxidanyl-[1-(triphenylmethyl)imidazol-4-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[hydroxy-(1-tritylimidazol-4-yl)methyl]-2-oxo-piperidine-1-carboxylate CAS Name: 3-[hydroxy-[1-(triphenylmethyl)-4-imidazolyl]methyl]-2-oxo-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[hydroxy-(1-tritylimidazol-4-yl)methyl]-2-oxopiperidine-1-carboxylate Traditional Name: 3-[hydroxy-(1-tritylimidazol-4-yl)methyl]-2-keto-piperidine-1-carboxylic acid tert-butyl ester Formula: C33H35N3O4 MolecularWeight: 537.6487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1=O)C(C2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1=O)C(C2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C33H35N3O4/c1-32(2,3)40-31(39)36-21-13-20-27(30(36)38)29(37)28-22-35(23-34-28)33(24-14-7-4-8-15-24,25-16-9-5-10-17-25)26-18-11-6-12-19-26/h4-12,14-19,22-23,27,29,37H,13,20-21H2,1-3H3