[(1R,2S)-2-(1,1,3,3-tetramethylisoindol-2-yl)oxycyclohexyl] benzoate

Systemtic Name: [(1R,2S)-2-(1,1,3,3-tetramethylisoindol-2-yl)oxycyclohexyl] benzoate Openeye Name: [(1R,2S)-2-(1,1,3,3-tetramethylisoindolin-2-yl)oxycyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S)-2-[(1,1,3,3-tetramethyl-2-isoindolyl)oxy]cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(1,1,3,3-tetramethylisoindol-2-yl)oxycyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S)-2-(1,1,3,3-tetramethylisoindolin-2-yl)oxycyclohexyl] ester Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(N1OC3CCCCC3OC(=O)C4=CC=CC=C4)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO3/c1-24(2)19-14-8-9-15-20(19)25(3,4)26(24)29-22-17-11-10-16-21(22)28-23(27)18-12-6-5-7-13-18/h5-9,12-15,21-22H,10-11,16-17H2,1-4H3/t21-,22+/m1/s1