[1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 5-fluoranyl-2-methoxy-benzoate

Systemtic Name: [1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 5-fluoranyl-2-methoxy-benzoate Openeye Name: [2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 5-fluoro-2-methoxy-benzoate CAS Name: 5-fluoro-2-methoxybenzoic acid [1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate Traditional Name: 5-fluoro-2-methoxy-benzoic acid [2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H22FNO5 MolecularWeight: 387.401483

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C=CC(=C2)F)OC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C=CC(=C2)F)OC

InChI

InChI=1S/C21H22FNO5/c1-4-5-19(24)23-16-9-6-14(7-10-16)20(25)13(2)28-21(26)17-12-15(22)8-11-18(17)27-3/h6-13H,4-5H2,1-3H3,(H,23,24)