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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 1,3-diphenylaziridine-2-carboxylate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 1,3-diphenylaziridine-2-carboxylate CAS Name: 1,3-diphenyl-2-aziridinecarboxylic 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] 1,3-diphenylaziridine-2-carboxylate Traditional Name: 1,3-diphenylethylenimine-2-carboxylic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C31H35NO2 MolecularWeight: 453.6151

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2C(N2C3=CC=CC=C3)C4=CC=CC=C4)C(C)(C)C5=CC=CC=C5

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2C(N2C3=CC=CC=C3)C4=CC=CC=C4)C(C)(C)C5=CC=CC=C5

InChI

InChI=1S/C31H35NO2/c1-22-19-20-26(31(2,3)24-15-9-5-10-16-24)27(21-22)34-30(33)29-28(23-13-7-4-8-14-23)32(29)25-17-11-6-12-18-25/h4-18,22,26-29H,19-21H2,1-3H3/t22-,26-,27-,28?,29?,32?/m1/s1