methyl (1R,2R)-1-isocyanato-2-phenyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2R)-1-isocyanato-2-phenyl-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2R)-1-isocyanato-2-phenyl-cyclohexanecarboxylate CAS Name: (1R,2R)-1-isocyanato-2-phenyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R)-1-isocyanato-2-phenylcyclohexane-1-carboxylate Traditional Name: (1R,2R)-1-isocyanato-2-phenyl-cyclohexanecarboxylic acid methyl ester Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1C2=CC=CC=C2)N=C=O

Isomeric SMILES

COC(=O)[C@]1(CCCC[C@@H]1C2=CC=CC=C2)N=C=O

InChI

InChI=1S/C15H17NO3/c1-19-14(18)15(16-11-17)10-6-5-9-13(15)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3/t13-,15-/m1/s1