[(1R,2R,5R)-5-methyl-2-(1-phenylethyl)cyclohexyl]methyl 2-phenylpyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO2/c1-20-15-16-25(21(2)22-10-5-3-6-11-22)24(18-20)19-31-28(30)26-14-9-17-29-27(26)23-12-7-4-8-13-23/h3-14,17,20-21,24-25H,15-16,18-19H2,1-2H3/t20-,21?,24+,25-/m1/s1