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

Systemtic Name: methyl 2-[(3-bromanyl-4-fluoranyl-phenyl)methylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[(3-bromo-4-fluoro-phenyl)methylamino]-3-methyl-pentanoate CAS Name: 2-[(3-bromo-4-fluorophenyl)methylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(3-bromo-4-fluorophenyl)methylamino]-3-methylpentanoate Traditional Name: 2-[(3-bromo-4-fluoro-benzyl)amino]-3-methyl-valeric acid methyl ester Formula: C14H19BrFNO2 MolecularWeight: 332.208563

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NCC1=CC(=C(C=C1)F)Br

Isomeric SMILES

CCC(C)C(C(=O)OC)NCC1=CC(=C(C=C1)F)Br

InChI

InChI=1S/C14H19BrFNO2/c1-4-9(2)13(14(18)19-3)17-8-10-5-6-12(16)11(15)7-10/h5-7,9,13,17H,4,8H2,1-3H3