(3R)-4-[7-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1,4-benzoxazin-4-yl]-3-(methylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (3R)-4-[7-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1,4-benzoxazin-4-yl]-3-(methylamino)-4-oxidanylidene-butanoic acid Openeye Name: (3R)-4-[7-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1,4-benzoxazin-4-yl]-3-(methylamino)-4-oxo-butanoic acid CAS Name: (3R)-4-[7-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1,4-benzoxazin-4-yl]-3-(methylamino)-4-oxobutanoic acid IUPAC Name: (3R)-4-[7-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1,4-benzoxazin-4-yl]-3-(methylamino)-4-oxobutanoic acid Traditional Name: (3R)-4-[7-[4-cyclohexyl-3-(trifluoromethyl)benzyl]oxy-1,4-benzoxazin-4-yl]-4-keto-3-(methylamino)butyric acid Formula: C27H29F3N2O5 MolecularWeight: 518.52477

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC(=O)O)C(=O)N1C=COC2=C1C=CC(=C2)OCC3=CC(=C(C=C3)C4CCCCC4)C(F)(F)F

Isomeric SMILES

CN[C@H](CC(=O)O)C(=O)N1C=COC2=C1C=CC(=C2)OCC3=CC(=C(C=C3)C4CCCCC4)C(F)(F)F

InChI

InChI=1S/C27H29F3N2O5/c1-31-22(15-25(33)34)26(35)32-11-12-36-24-14-19(8-10-23(24)32)37-16-17-7-9-20(18-5-3-2-4-6-18)21(13-17)27(28,29)30/h7-14,18,22,31H,2-6,15-16H2,1H3,(H,33,34)/t22-/m1/s1