methyl 4-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-3-methyl-benzoate

Systemtic Name: methyl 4-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-3-methyl-benzoate Openeye Name: methyl 4-[(5-bromo-2-fluoro-phenyl)methylamino]-3-methyl-benzoate CAS Name: 4-[(5-bromo-2-fluorophenyl)methylamino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromo-2-fluorophenyl)methylamino]-3-methylbenzoate Traditional Name: 4-[(5-bromo-2-fluoro-benzyl)amino]-3-methyl-benzoic acid methyl ester Formula: C16H15BrFNO2 MolecularWeight: 352.198203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NCC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NCC2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C16H15BrFNO2/c1-10-7-11(16(20)21-2)3-6-15(10)19-9-12-8-13(17)4-5-14(12)18/h3-8,19H,9H2,1-2H3