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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-ethylaziridine-2-carboxylate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2S)-2-ethylaziridine-2-carboxylate CAS Name: (2S)-2-ethyl-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] (2S)-2-ethylaziridine-2-carboxylate Traditional Name: (2S)-2-ethylethylenimine-2-carboxylic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN1)C(=O)OC2CC(CCC2C(C)(C)C3=CC=CC=C3)C

Isomeric SMILES

CC[C@]1(CN1)C(=O)O[C@@H]2C[C@@H](CC[C@H]2C(C)(C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H31NO2/c1-5-21(14-22-21)19(23)24-18-13-15(2)11-12-17(18)20(3,4)16-9-7-6-8-10-16/h6-10,15,17-18,22H,5,11-14H2,1-4H3/t15-,17-,18-,21+/m1/s1