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

Systemtic Name: tert-butyl 4-[2-[(3-fluorophenyl)methyl]-4-methoxy-4-oxidanylidene-butyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(3-fluorophenyl)methyl]-4-methoxy-4-oxo-butyl]piperazine-1-carboxylate CAS Name: 4-[2-[(3-fluorophenyl)methyl]-4-methoxy-4-oxobutyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(3-fluorophenyl)methyl]-4-methoxy-4-oxobutyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-fluorobenzyl)-4-keto-4-methoxy-butyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H31FN2O4 MolecularWeight: 394.480243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC(CC2=CC(=CC=C2)F)CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(CC2=CC(=CC=C2)F)CC(=O)OC

InChI

InChI=1S/C21H31FN2O4/c1-21(2,3)28-20(26)24-10-8-23(9-11-24)15-17(14-19(25)27-4)12-16-6-5-7-18(22)13-16/h5-7,13,17H,8-12,14-15H2,1-4H3