[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C23H27BrFNO3 MolecularWeight: 464.367783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F)C(C)(C)C

InChI

InChI=1S/C23H27BrFNO3/c1-22(2,3)15-9-14(10-16(11-15)23(4,5)6)21(28)29-13-20(27)26-19-8-7-17(24)12-18(19)25/h7-12H,13H2,1-6H3,(H,26,27)