[(1R,2S,4R)-4-tert-butyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxy-cyclohexyl] benzoate

Systemtic Name: [(1R,2S,4R)-4-tert-butyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxy-cyclohexyl] benzoate Openeye Name: [(1R,2S,4R)-4-tert-butyl-2-(1,1,3,3-tetramethylisoindolin-2-yl)oxy-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S,4R)-4-tert-butyl-2-[(1,1,3,3-tetramethyl-2-isoindolyl)oxy]cyclohexyl] ester IUPAC Name: [(1R,2S,4R)-4-tert-butyl-2-(1,1,3,3-tetramethylisoindol-2-yl)oxycyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S,4R)-4-tert-butyl-2-(1,1,3,3-tetramethylisoindolin-2-yl)oxy-cyclohexyl] ester Formula: C29H39NO3 MolecularWeight: 449.62486

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(N1OC3CC(CCC3OC(=O)C4=CC=CC=C4)C(C)(C)C)(C)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(N1O[C@H]3C[C@@H](CC[C@H]3OC(=O)C4=CC=CC=C4)C(C)(C)C)(C)C)C

InChI

InChI=1S/C29H39NO3/c1-27(2,3)21-17-18-24(32-26(31)20-13-9-8-10-14-20)25(19-21)33-30-28(4,5)22-15-11-12-16-23(22)29(30,6)7/h8-16,21,24-25H,17-19H2,1-7H3/t21-,24-,25+/m1/s1