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

Systemtic Name: tert-butyl 4-[[3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylidene]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(4-isocyanophenyl)-4,5-dihydroisoxazol-5-yl]methylene]piperidine-1-carboxylate CAS Name: 4-[[3-(4-isocyanophenyl)-4,5-dihydroisoxazol-5-yl]methylidene]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(4-isocyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylidene]piperidine-1-carboxylate Traditional Name: 4-[[3-(4-isocyanophenyl)-2-isoxazolin-5-yl]methylene]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-21(2,3)26-20(25)24-11-9-15(10-12-24)13-18-14-19(23-27-18)16-5-7-17(22-4)8-6-16/h5-8,13,18H,9-12,14H2,1-3H3