[(1R,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-1-[(1S)-1-phenylethyl]aziridine-2-carboxylate

Systemtic Name: [(1R,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-1-[(1S)-1-phenylethyl]aziridine-2-carboxylate Openeye Name: [(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] (2S)-1-[(1S)-1-phenylethyl]aziridine-2-carboxylate CAS Name: (2S)-1-[(1S)-1-phenylethyl]-2-aziridinecarboxylic acid [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-1-[(1S)-1-phenylethyl]aziridine-2-carboxylate Traditional Name: (2S)-1-[(1S)-1-phenylethyl]ethylenimine-2-carboxylic acid [(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H31NO2 MolecularWeight: 329.47634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2CN2C(C)C3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)[C@@H]2CN2[C@@H](C)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H31NO2/c1-14(2)18-11-10-15(3)12-20(18)24-21(23)19-13-22(19)16(4)17-8-6-5-7-9-17/h5-9,14-16,18-20H,10-13H2,1-4H3/t15-,16-,18+,19-,20+,22?/m0/s1