[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-isocyanobenzoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-isocyanobenzoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 3-isocyanobenzoate CAS Name: 3-isocyanobenzoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-isocyanobenzoate Traditional Name: 3-isocyanobenzoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C18H23NO2 MolecularWeight: 285.38072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO2/c1-12(2)16-9-8-13(3)10-17(16)21-18(20)14-6-5-7-15(11-14)19-4/h5-7,11-13,16-17H,8-10H2,1-3H3/t13-,16+,17-/m1/s1