[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (4R,5R)-5-diethoxyphosphoryl-4-phenyl-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (4R,5R)-5-diethoxyphosphoryl-4-phenyl-3,4-dihydropyrazole-5-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (4R,5R)-5-diethoxyphosphoryl-4-phenyl-3,4-dihydropyrazole-5-carboxylate CAS Name: (4R,5R)-5-diethoxyphosphoryl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (4R,5R)-5-diethoxyphosphoryl-4-phenyl-3,4-dihydropyrazole-5-carboxylate Traditional Name: (3R,4R)-3-diethoxyphosphoryl-4-phenyl-1-pyrazoline-3-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C24H37N2O5P MolecularWeight: 464.534741

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1(C(CN=N1)C2=CC=CC=C2)C(=O)OC3CC(CCC3C(C)C)C)OCC

Isomeric SMILES

CCOP(=O)([C@]1([C@@H](CN=N1)C2=CC=CC=C2)C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)OCC

InChI

InChI=1S/C24H37N2O5P/c1-6-29-32(28,30-7-2)24(21(16-25-26-24)19-11-9-8-10-12-19)23(27)31-22-15-18(5)13-14-20(22)17(3)4/h8-12,17-18,20-22H,6-7,13-16H2,1-5H3/t18-,20+,21+,22-,24-/m1/s1