[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2H-azirine-3-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2H-azirine-3-carboxylate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2H-azirine-3-carboxylate CAS Name: 2H-azirine-3-carboxylic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2H-azirine-3-carboxylate Traditional Name: 2H-azirine-3-carboxylic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C19H25NO2 MolecularWeight: 299.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=NC2)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=NC2)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C19H25NO2/c1-13-9-10-15(17(11-13)22-18(21)16-12-20-16)19(2,3)14-7-5-4-6-8-14/h4-8,13,15,17H,9-12H2,1-3H3/t13-,15-,17-/m1/s1