tert-butyl (2S)-2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H29FN2O4 MolecularWeight: 404.475063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H29FN2O4/c1-22(2,3)29-21(28)25-12-4-5-18(25)20(27)24-13-10-16(11-14-24)19(26)15-6-8-17(23)9-7-15/h6-9,16,18H,4-5,10-14H2,1-3H3/t18-/m0/s1