[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-phenylpyridine-3-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-phenylpyridine-3-carboxylate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-phenylpyridine-3-carboxylate CAS Name: 2-phenyl-3-pyridinecarboxylic 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-phenylpyridine-3-carboxylate Traditional Name: 2-phenylnicotinic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C28H31NO2 MolecularWeight: 413.55124

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=C(N=CC=C2)C3=CC=CC=C3)C(C)(C)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=C(N=CC=C2)C3=CC=CC=C3)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C28H31NO2/c1-20-16-17-24(28(2,3)22-13-8-5-9-14-22)25(19-20)31-27(30)23-15-10-18-29-26(23)21-11-6-4-7-12-21/h4-15,18,20,24-25H,16-17,19H2,1-3H3/t20-,24-,25-/m1/s1