[1-[[2,6-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-butylbenzoate

Systemtic Name: [1-[[2,6-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-butylbenzoate Openeye Name: [2-(2,6-difluoroanilino)-1-methyl-2-oxo-ethyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [2-(2,6-difluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21F2NO3 MolecularWeight: 361.382446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CC=C2F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CC=C2F)F

InChI

InChI=1S/C20H21F2NO3/c1-3-4-6-14-9-11-15(12-10-14)20(25)26-13(2)19(24)23-18-16(21)7-5-8-17(18)22/h5,7-13H,3-4,6H2,1-2H3,(H,23,24)