[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-benzamido-2-deuterio-propanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-benzamido-2-deuterio-propanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-benzamido-2-deuterio-propanoate CAS Name: 2-benzamido-2-deuteriopropanoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-benzamido-2-deuteriopropanoate Traditional Name: 2-benzamido-2-deuterio-propionic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C26H33NO3 MolecularWeight: 408.551282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C)NC(=O)C2=CC=CC=C2)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

[2H]C(C)(C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)(C)C2=CC=CC=C2)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H33NO3/c1-18-15-16-22(26(3,4)21-13-9-6-10-14-21)23(17-18)30-25(29)19(2)27-24(28)20-11-7-5-8-12-20/h5-14,18-19,22-23H,15-17H2,1-4H3,(H,27,28)/t18-,19?,22-,23-/m1/s1/i19D