3-[(4-bromanyl-2-fluoranyl-phenyl)-[(2-methoxycarbonylphenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)-[(2-methoxycarbonylphenyl)methyl]amino]propanoic acid Openeye Name: 3-[4-bromo-2-fluoro-N-[(2-methoxycarbonylphenyl)methyl]anilino]propanoic acid CAS Name: 3-[4-bromo-2-fluoro-N-[(2-methoxycarbonylphenyl)methyl]anilino]propanoic acid IUPAC Name: 3-[4-bromo-2-fluoro-N-[(2-methoxycarbonylphenyl)methyl]anilino]propanoic acid Traditional Name: 3-(4-bromo-N-(2-carbomethoxybenzyl)-2-fluoro-anilino)propionic acid Formula: C18H17BrFNO4 MolecularWeight: 410.234283

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CN(CCC(=O)O)C2=C(C=C(C=C2)Br)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1CN(CCC(=O)O)C2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C18H17BrFNO4/c1-25-18(24)14-5-3-2-4-12(14)11-21(9-8-17(22)23)16-7-6-13(19)10-15(16)20/h2-7,10H,8-9,11H2,1H3,(H,22,23)