tert-butyl N-[1-[2-[(2S)-2-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-2,5-dihydropyrrol-1-yl]ethyl]pyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2-[(2S)-2-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-2,5-dihydropyrrol-1-yl]ethyl]pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[2-[(2S)-2-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-2,5-dihydropyrrol-1-yl]ethyl]pyrrolidin-3-yl]carbamate CAS Name: N-[1-[2-[(2S)-2-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]-oxomethyl]-2,5-dihydropyrrol-1-yl]ethyl]-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-[(2S)-2-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-2,5-dihydropyrrol-1-yl]ethyl]pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[2-[(2S)-2-[[3,5-bis(trifluoromethyl)benzyl]carbamoyl]-3-pyrrolin-1-yl]ethyl]pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C25H32F6N4O3 MolecularWeight: 550.536999

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(C1)CCN2CC=CC2C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(C1)CCN2CC=C[C@H]2C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C25H32F6N4O3/c1-23(2,3)38-22(37)33-19-6-8-34(15-19)9-10-35-7-4-5-20(35)21(36)32-14-16-11-17(24(26,27)28)13-18(12-16)25(29,30)31/h4-5,11-13,19-20H,6-10,14-15H2,1-3H3,(H,32,36)(H,33,37)/t19?,20-/m0/s1