3-[(3-bromanyl-4-methoxy-phenyl)methyl-[(3,4-dichlorophenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methyl-[(3,4-dichlorophenyl)methyl]amino]propanoic acid Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methyl-[(3,4-dichlorophenyl)methyl]amino]propanoic acid CAS Name: 3-[(3-bromo-4-methoxyphenyl)methyl-[(3,4-dichlorophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methyl-[(3,4-dichlorophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)-(3,4-dichlorobenzyl)amino]propionic acid Formula: C18H18BrCl2NO3 MolecularWeight: 447.15042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCC(=O)O)CC2=CC(=C(C=C2)Cl)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCC(=O)O)CC2=CC(=C(C=C2)Cl)Cl)Br

InChI

InChI=1S/C18H18BrCl2NO3/c1-25-17-5-3-12(8-14(17)19)10-22(7-6-18(23)24)11-13-2-4-15(20)16(21)9-13/h2-5,8-9H,6-7,10-11H2,1H3,(H,23,24)