tert-butyl 2-[(1S,3R)-1,3-dimethyl-1,3-diphenyl-isoindol-2-yl]oxypropanoate

Systemtic Name: tert-butyl 2-[(1S,3R)-1,3-dimethyl-1,3-diphenyl-isoindol-2-yl]oxypropanoate Openeye Name: tert-butyl 2-[(1R,3S)-1,3-dimethyl-1,3-diphenyl-isoindolin-2-yl]oxypropanoate CAS Name: 2-[[(1S,3R)-1,3-dimethyl-1,3-diphenyl-2-isoindolyl]oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1S,3R)-1,3-dimethyl-1,3-diphenylisoindol-2-yl]oxypropanoate Traditional Name: 2-[(1R,3S)-1,3-dimethyl-1,3-diphenyl-isoindolin-2-yl]oxypropionic acid tert-butyl ester Formula: C29H33NO3 MolecularWeight: 443.57722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)ON1C(C2=CC=CC=C2C1(C)C3=CC=CC=C3)(C)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)OC(C)(C)C)ON1[C@](C2=CC=CC=C2[C@]1(C)C3=CC=CC=C3)(C)C4=CC=CC=C4

InChI

InChI=1S/C29H33NO3/c1-21(26(31)32-27(2,3)4)33-30-28(5,22-15-9-7-10-16-22)24-19-13-14-20-25(24)29(30,6)23-17-11-8-12-18-23/h7-21H,1-6H3/t21?,28-,29+