O4-tert-butyl O1-[(3-prop-2-ynoxyphenyl)methyl] 2-fluoranyl-2,6-dimethyl-piperazine-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-[(3-prop-2-ynoxyphenyl)methyl] 2-fluoranyl-2,6-dimethyl-piperazine-1,4-dicarboxylate Openeye Name: O4-tert-butyl O1-[(3-prop-2-ynoxyphenyl)methyl] 2-fluoro-2,6-dimethyl-piperazine-1,4-dicarboxylate CAS Name: 2-fluoro-2,6-dimethylpiperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-[(3-prop-2-ynoxyphenyl)methyl] ester IUPAC Name: 4-O-tert-butyl 1-O-[(3-prop-2-ynoxyphenyl)methyl] 2-fluoro-2,6-dimethylpiperazine-1,4-dicarboxylate Traditional Name: 2-fluoro-2,6-dimethyl-piperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-(3-propargyloxybenzyl) ester Formula: C22H29FN2O5 MolecularWeight: 420.474463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)OCC2=CC(=CC=C2)OCC#C)(C)F)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CN(CC(N1C(=O)OCC2=CC(=CC=C2)OCC#C)(C)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29FN2O5/c1-7-11-28-18-10-8-9-17(12-18)14-29-20(27)25-16(2)13-24(15-22(25,6)23)19(26)30-21(3,4)5/h1,8-10,12,16H,11,13-15H2,2-6H3