(2-isocyanophenyl) [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] carbonate

Systemtic Name: (2-isocyanophenyl) [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] carbonate Openeye Name: (2-isocyanophenyl) [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] carbonate CAS Name: carbonic acid (2-isocyanophenyl) [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: (2-isocyanophenyl) [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] carbonate Traditional Name: carbonic acid (2-isocyanophenyl) [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)OC2=CC=CC=C2[N+]#[C-])C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)OC2=CC=CC=C2[N+]#[C-])C(C)C

InChI

InChI=1S/C18H23NO3/c1-12(2)14-10-9-13(3)11-17(14)22-18(20)21-16-8-6-5-7-15(16)19-4/h5-8,12-14,17H,9-11H2,1-3H3/t13-,14+,17-/m0/s1