[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2R)-1,4-bis(phenylmethyl)piperazine-2-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2R)-1,4-bis(phenylmethyl)piperazine-2-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2R)-1,4-dibenzylpiperazine-2-carboxylate CAS Name: (2R)-1,4-bis(phenylmethyl)-2-piperazinecarboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-1,4-dibenzylpiperazine-2-carboxylate Traditional Name: (2R)-1,4-dibenzylpiperazine-2-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C29H40N2O2 MolecularWeight: 448.6401

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2CN(CCN2CC3=CC=CC=C3)CC4=CC=CC=C4)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]2CN(CCN2CC3=CC=CC=C3)CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C29H40N2O2/c1-22(2)26-15-14-23(3)18-28(26)33-29(32)27-21-30(19-24-10-6-4-7-11-24)16-17-31(27)20-25-12-8-5-9-13-25/h4-13,22-23,26-28H,14-21H2,1-3H3/t23-,26+,27-,28-/m1/s1