methyl 4-[(5-bromanyl-2-fluoranyl-phenyl)methylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(5-bromanyl-2-fluoranyl-phenyl)methylcarbamoyl]benzoate Openeye Name: methyl 4-[(5-bromo-2-fluoro-phenyl)methylcarbamoyl]benzoate CAS Name: 4-[[(5-bromo-2-fluorophenyl)methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromo-2-fluorophenyl)methylcarbamoyl]benzoate Traditional Name: 4-[(5-bromo-2-fluoro-benzyl)carbamoyl]benzoic acid methyl ester Formula: C16H13BrFNO3 MolecularWeight: 366.181723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=C(C=CC(=C2)Br)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C16H13BrFNO3/c1-22-16(21)11-4-2-10(3-5-11)15(20)19-9-12-8-13(17)6-7-14(12)18/h2-8H,9H2,1H3,(H,19,20)