1,3-benzoxazol-2-ylmethyl 2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: 1,3-benzoxazol-2-ylmethyl 2-[(2,6-difluorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2,6-difluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 2-[(2,6-difluorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2,6-difluorobenzoyl)amino]-3-methyl-butyric acid 1,3-benzoxazol-2-ylmethyl ester Formula: C20H18F2N2O4 MolecularWeight: 388.364726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2O1)NC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2O1)NC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C20H18F2N2O4/c1-11(2)18(24-19(25)17-12(21)6-5-7-13(17)22)20(26)27-10-16-23-14-8-3-4-9-15(14)28-16/h3-9,11,18H,10H2,1-2H3,(H,24,25)