3-[(3-bromanyl-4-methoxy-phenyl)methyl-[(2-chloranyl-6-fluoranyl-phenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methyl-[(2-chloranyl-6-fluoranyl-phenyl)methyl]amino]propanoic acid Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methyl-[(2-chloro-6-fluoro-phenyl)methyl]amino]propanoic acid CAS Name: 3-[(3-bromo-4-methoxyphenyl)methyl-[(2-chloro-6-fluorophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methyl-[(2-chloro-6-fluorophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)-(2-chloro-6-fluoro-benzyl)amino]propionic acid Formula: C18H18BrClFNO3 MolecularWeight: 430.695823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCC(=O)O)CC2=C(C=CC=C2Cl)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCC(=O)O)CC2=C(C=CC=C2Cl)F)Br

InChI

InChI=1S/C18H18BrClFNO3/c1-25-17-6-5-12(9-14(17)19)10-22(8-7-18(23)24)11-13-15(20)3-2-4-16(13)21/h2-6,9H,7-8,10-11H2,1H3,(H,23,24)