tert-butyl (2S)-2-[[4-(4-chloranylphenoxy)phenoxy]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[4-(4-chloranylphenoxy)phenoxy]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1COC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1COC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClNO4/c1-22(2,3)28-21(25)24-14-4-5-17(24)15-26-18-10-12-20(13-11-18)27-19-8-6-16(23)7-9-19/h6-13,17H,4-5,14-15H2,1-3H3/t17-/m0/s1