(2S)-2-[(7-chloranyl-1,3-benzoxazol-2-yl)amino]-4,4-dimethyl-N-[(2S)-1-[[4-(trifluoromethyloxy)phenyl]amino]propan-2-yl]pentanamide

Systemtic Name: (2S)-2-[(7-chloranyl-1,3-benzoxazol-2-yl)amino]-4,4-dimethyl-N-[(2S)-1-[[4-(trifluoromethyloxy)phenyl]amino]propan-2-yl]pentanamide Openeye Name: (2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-4,4-dimethyl-N-[(1S)-1-methyl-2-[4-(trifluoromethoxy)anilino]ethyl]pentanamide CAS Name: (2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-4,4-dimethyl-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide IUPAC Name: (2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-4,4-dimethyl-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide Traditional Name: (2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-4,4-dimethyl-N-[(1S)-1-methyl-2-[4-(trifluoromethoxy)anilino]ethyl]valeramide Formula: C24H28ClF3N4O3 MolecularWeight: 512.95233

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC=C(C=C1)OC(F)(F)F)NC(=O)C(CC(C)(C)C)NC2=NC3=C(O2)C(=CC=C3)Cl

Isomeric SMILES

C[C@@H](CNC1=CC=C(C=C1)OC(F)(F)F)NC(=O)[C@H](CC(C)(C)C)NC2=NC3=C(O2)C(=CC=C3)Cl

InChI

InChI=1S/C24H28ClF3N4O3/c1-14(13-29-15-8-10-16(11-9-15)35-24(26,27)28)30-21(33)19(12-23(2,3)4)32-22-31-18-7-5-6-17(25)20(18)34-22/h5-11,14,19,29H,12-13H2,1-4H3,(H,30,33)(H,31,32)/t14-,19-/m0/s1