[(2R)-3-[4-azanyl-3,5-bis(trifluoromethyl)phenyl]-1-oxidanylidene-1-(4-piperidin-4-ylpiperidin-1-yl)propan-2-yl] 2-oxidanylidenespiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate

Systemtic Name: [(2R)-3-[4-azanyl-3,5-bis(trifluoromethyl)phenyl]-1-oxidanylidene-1-(4-piperidin-4-ylpiperidin-1-yl)propan-2-yl] 2-oxidanylidenespiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate Openeye Name: [(1R)-1-[[4-amino-3,5-bis(trifluoromethyl)phenyl]methyl]-2-oxo-2-[4-(4-piperidyl)-1-piperidyl]ethyl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate CAS Name: 2-oxo-1'-spiro[1H-3,1-benzoxazine-4,4'-piperidine]carboxylic acid [(2R)-3-[4-amino-3,5-bis(trifluoromethyl)phenyl]-1-oxo-1-[4-(4-piperidinyl)-1-piperidinyl]propan-2-yl] ester IUPAC Name: [(2R)-3-[4-amino-3,5-bis(trifluoromethyl)phenyl]-1-oxo-1-(4-piperidin-4-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate Traditional Name: 2-ketospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylic acid [(1R)-1-[4-amino-3,5-bis(trifluoromethyl)benzyl]-2-keto-2-[4-(4-piperidyl)piperidino]ethyl] ester Formula: C34H39F6N5O5 MolecularWeight: 711.694379

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)C(F)(F)F)N)C(F)(F)F)OC(=O)N4CCC5(CC4)C6=CC=CC=C6NC(=O)O5

Isomeric SMILES

C1CNCCC1C2CCN(CC2)C(=O)[C@@H](CC3=CC(=C(C(=C3)C(F)(F)F)N)C(F)(F)F)OC(=O)N4CCC5(CC4)C6=CC=CC=C6NC(=O)O5

InChI

InChI=1S/C34H39F6N5O5/c35-33(36,37)24-17-20(18-25(28(24)41)34(38,39)40)19-27(29(46)44-13-7-22(8-14-44)21-5-11-42-12-6-21)49-31(48)45-15-9-32(10-16-45)23-3-1-2-4-26(23)43-30(47)50-32/h1-4,17-18,21-22,27,42H,5-16,19,41H2,(H,43,47)/t27-/m1/s1