tert-butyl 4-[[3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-hydroxy-4-[[3-(4-isocyanophenyl)-4,5-dihydroisoxazol-5-yl]methyl]piperidine-1-carboxylate CAS Name: 4-hydroxy-4-[[3-(4-isocyanophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-hydroxy-4-[[3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-hydroxy-4-[[3-(4-isocyanophenyl)-2-isoxazolin-5-yl]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CC2CC(=NO2)C3=CC=C(C=C3)[N+]#[C-])O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CC2CC(=NO2)C3=CC=C(C=C3)[N+]#[C-])O

InChI

InChI=1S/C21H27N3O4/c1-20(2,3)27-19(25)24-11-9-21(26,10-12-24)14-17-13-18(23-28-17)15-5-7-16(22-4)8-6-15/h5-8,17,26H,9-14H2,1-3H3