[1-[[2,6-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-phenyl-pentanoate

Systemtic Name: [1-[[2,6-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-phenyl-pentanoate Openeye Name: [2-(2,6-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-methyl-2-phenyl-pentanoate CAS Name: 3-methyl-2-phenylpentanoic acid [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-methyl-2-phenylpentanoate Traditional Name: 3-methyl-2-phenyl-valeric acid [2-(2,6-difluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23F2NO3 MolecularWeight: 375.409026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC2=C(C=CC=C2F)F

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC2=C(C=CC=C2F)F

InChI

InChI=1S/C21H23F2NO3/c1-4-13(2)18(15-9-6-5-7-10-15)21(26)27-14(3)20(25)24-19-16(22)11-8-12-17(19)23/h5-14,18H,4H2,1-3H3,(H,24,25)