N-[2-[(2S)-2-(ethoxymethyl)-4-[(4-oxidanyl-4-pyridin-2-yl-cyclohexyl)amino]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[2-[(2S)-2-(ethoxymethyl)-4-[(4-oxidanyl-4-pyridin-2-yl-cyclohexyl)amino]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-[(2S)-2-(ethoxymethyl)-4-[[4-hydroxy-4-(2-pyridyl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxo-ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[2-[(2S)-2-(ethoxymethyl)-4-[[4-hydroxy-4-(2-pyridinyl)cyclohexyl]amino]-1-pyrrolidinyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[2-[(2S)-2-(ethoxymethyl)-4-[(4-hydroxy-4-pyridin-2-ylcyclohexyl)amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-[(2S)-2-(ethoxymethyl)-4-[[4-hydroxy-4-(2-pyridyl)cyclohexyl]amino]pyrrolidino]-2-keto-ethyl]-3-(trifluoromethyl)benzamide Formula: C28H35F3N4O4 MolecularWeight: 548.59711

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1CC(CN1C(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)NC3CCC(CC3)(C4=CC=CC=N4)O

Isomeric SMILES

CCOC[C@@H]1CC(CN1C(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)NC3CCC(CC3)(C4=CC=CC=N4)O

InChI

InChI=1S/C28H35F3N4O4/c1-2-39-18-23-15-22(34-21-9-11-27(38,12-10-21)24-8-3-4-13-32-24)17-35(23)25(36)16-33-26(37)19-6-5-7-20(14-19)28(29,30)31/h3-8,13-14,21-23,34,38H,2,9-12,15-18H2,1H3,(H,33,37)/t21?,22?,23-,27?/m0/s1