[(1R,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 4-(5-propylpyridin-2-yl)benzoate

Systemtic Name: [(1R,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 4-(5-propylpyridin-2-yl)benzoate Openeye Name: [(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 4-(5-propyl-2-pyridyl)benzoate CAS Name: 4-(5-propyl-2-pyridinyl)benzoic acid [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-(5-propylpyridin-2-yl)benzoate Traditional Name: 4-(5-propyl-2-pyridyl)benzoic acid [(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C25H33NO2 MolecularWeight: 379.53502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CC(CCC3C(C)C)C

Isomeric SMILES

CCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)O[C@@H]3C[C@H](CC[C@@H]3C(C)C)C

InChI

InChI=1S/C25H33NO2/c1-5-6-19-8-14-23(26-16-19)20-9-11-21(12-10-20)25(27)28-24-15-18(4)7-13-22(24)17(2)3/h8-12,14,16-18,22,24H,5-7,13,15H2,1-4H3/t18-,22+,24+/m0/s1