methyl 5-[(3-bromophenyl)methylamino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[(3-bromophenyl)methylamino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[(3-bromophenyl)methylamino]-2-fluoro-benzoate CAS Name: 5-[(3-bromophenyl)methylamino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[(3-bromophenyl)methylamino]-2-fluorobenzoate Traditional Name: 5-[(3-bromobenzyl)amino]-2-fluoro-benzoic acid methyl ester Formula: C15H13BrFNO2 MolecularWeight: 338.171623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrFNO2/c1-20-15(19)13-8-12(5-6-14(13)17)18-9-10-3-2-4-11(16)7-10/h2-8,18H,9H2,1H3