tert-butyl 2-[(4-fluorophenyl)-(2-methoxyethoxymethoxy)methyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-[(4-fluorophenyl)-(2-methoxyethoxymethoxy)methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 2-[(4-fluorophenyl)-(2-methoxyethoxymethoxy)methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 2-[(4-fluorophenyl)-(2-methoxyethoxymethoxy)methyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-fluorophenyl)-(2-methoxyethoxymethoxy)methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 2-[(4-fluorophenyl)-(2-methoxyethoxymethoxy)methyl]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C20H29FN2O6 MolecularWeight: 412.452463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC(=O)C1C(C2=CC=C(C=C2)F)OCOCCOC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC(=O)C1C(C2=CC=C(C=C2)F)OCOCCOC

InChI

InChI=1S/C20H29FN2O6/c1-20(2,3)29-19(25)23-10-9-22-18(24)16(23)17(28-13-27-12-11-26-4)14-5-7-15(21)8-6-14/h5-8,16-17H,9-13H2,1-4H3,(H,22,24)