tert-butyl 1-isocyanatocyclohenicosane-1-carboxylate

Systemtic Name: tert-butyl 1-isocyanatocyclohenicosane-1-carboxylate Openeye Name: tert-butyl 1-isocyanatocyclohenicosanecarboxylate CAS Name: 1-isocyanato-1-cycloheneicosanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-isocyanatocyclohenicosane-1-carboxylate Traditional Name: 1-isocyanatocycloheneicosanecarboxylic acid tert-butyl ester Formula: C27H49NO3 MolecularWeight: 435.68286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCCCCCCCCCCCCCCCCCCC1)N=C=O

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCCCCCCCCCCCCCCCCCCC1)N=C=O

InChI

InChI=1S/C27H49NO3/c1-26(2,3)31-25(30)27(28-24-29)22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-27/h4-23H2,1-3H3