[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S,4R)-4-(phenylcarbonyloxy)pyrrolidine-2-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S,4R)-4-(phenylcarbonyloxy)pyrrolidine-2-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S,4R)-4-benzoyloxypyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-benzoyloxy-2-pyrrolidinecarboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S,4R)-4-benzoyloxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-benzoyloxypyrrolidine-2-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2CC(CN2)OC(=O)C3=CC=CC=C3)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO4/c1-14(2)18-10-9-15(3)11-20(18)27-22(25)19-12-17(13-23-19)26-21(24)16-7-5-4-6-8-16/h4-8,14-15,17-20,23H,9-13H2,1-3H3/t15-,17-,18+,19+,20-/m1/s1