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

Systemtic Name: [(R)-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]-pyridin-2-yl-methyl] 4-nitrobenzoate Openeye Name: [(R)-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]-(2-pyridyl)methyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(R)-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-(2-pyridinyl)methyl] ester IUPAC Name: [(R)-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(R)-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]-(2-pyridyl)methyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C(C2=CC=CC=N2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)[C@H](C2=CC=CC=N2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C23H28N2O4/c1-15(2)19-12-7-16(3)14-20(19)22(21-6-4-5-13-24-21)29-23(26)17-8-10-18(11-9-17)25(27)28/h4-6,8-11,13,15-16,19-20,22H,7,12,14H2,1-3H3/t16-,19+,20-,22-/m1/s1