tert-butyl 4-[2,4-bis(fluoranyl)-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2,4-bis(fluoranyl)-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2,4-difluoro-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate CAS Name: 4-[2,4-difluoro-5-[(2-methyl-1-oxopropyl)amino]phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2,4-difluoro-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate Traditional Name: 4-[2,4-difluoro-5-(isobutyrylamino)phenyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H28F2N2O3 MolecularWeight: 382.444726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C(C(=C1)C2CCN(CC2)C(=O)OC(C)(C)C)F)F

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C(=C1)C2CCN(CC2)C(=O)OC(C)(C)C)F)F

InChI

InChI=1S/C20H28F2N2O3/c1-12(2)18(25)23-17-10-14(15(21)11-16(17)22)13-6-8-24(9-7-13)19(26)27-20(3,4)5/h10-13H,6-9H2,1-5H3,(H,23,25)