ditert-butyl 4-(2-methoxyphenyl)pyrrolidine-1,3-dicarboxylate; 5-oxabicyclo[2.1.1]hexane

Systemtic Name: ditert-butyl 4-(2-methoxyphenyl)pyrrolidine-1,3-dicarboxylate; 5-oxabicyclo[2.1.1]hexane Openeye Name: ditert-butyl 4-(2-methoxyphenyl)pyrrolidine-1,3-dicarboxylate; 5-oxabicyclo[2.1.1]hexane CAS Name: 4-(2-methoxyphenyl)pyrrolidine-1,3-dicarboxylic acid ditert-butyl ester; 5-oxabicyclo[2.1.1]hexane IUPAC Name: ditert-butyl 4-(2-methoxyphenyl)pyrrolidine-1,3-dicarboxylate; 5-oxabicyclo[2.1.1]hexane Traditional Name: 4-(2-methoxyphenyl)pyrrolidine-1,3-dicarboxylic acid ditert-butyl ester; 5-oxabicyclo[2.1.1]hexane Formula: C26H39NO6 MolecularWeight: 461.59096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(CC1C2=CC=CC=C2OC)C(=O)OC(C)(C)C.C1CC2CC1O2

Isomeric SMILES

CC(C)(C)OC(=O)C1CN(CC1C2=CC=CC=C2OC)C(=O)OC(C)(C)C.C1CC2CC1O2

InChI

InChI=1S/C21H31NO5.C5H8O/c1-20(2,3)26-18(23)16-13-22(19(24)27-21(4,5)6)12-15(16)14-10-8-9-11-17(14)25-7;1-2-5-3-4(1)6-5/h8-11,15-16H,12-13H2,1-7H3;4-5H,1-3H2