[1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylbutylamino)ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [1-oxo-1-(1-phenylbutylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylbutylamino)propan-2-yl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-keto-1-methyl-2-(1-phenylbutylamino)ethyl] ester Formula: C20H21BrFNO3 MolecularWeight: 422.288043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)Br)F

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C20H21BrFNO3/c1-3-7-18(14-8-5-4-6-9-14)23-19(24)13(2)26-20(25)16-12-15(21)10-11-17(16)22/h4-6,8-13,18H,3,7H2,1-2H3,(H,23,24)