[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-1-diphenylphosphoryl-2-phenyl-2,5-dihydropyrrole-3-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-1-diphenylphosphoryl-2-phenyl-2,5-dihydropyrrole-3-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S)-1-diphenylphosphoryl-2-phenyl-2,5-dihydropyrrole-3-carboxylate CAS Name: (2S)-1-diphenylphosphoryl-2-phenyl-2,5-dihydropyrrole-3-carboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-1-diphenylphosphoryl-2-phenyl-2,5-dihydropyrrole-3-carboxylate Traditional Name: (2S)-1-diphenylphosphoryl-2-phenyl-3-pyrroline-3-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C33H38NO3P MolecularWeight: 527.633481

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CCN(C2C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CCN([C@H]2C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5)C(C)C

InChI

InChI=1S/C33H38NO3P/c1-24(2)29-20-19-25(3)23-31(29)37-33(35)30-21-22-34(32(30)26-13-7-4-8-14-26)38(36,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-18,21,24-25,29,31-32H,19-20,22-23H2,1-3H3/t25-,29+,31-,32+/m1/s1