3-[(3-bromanyl-4-methoxy-phenyl)methyl-(furan-2-ylmethyl)amino]propanoic acid

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methyl-(furan-2-ylmethyl)amino]propanoic acid Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methyl-(2-furylmethyl)amino]propanoic acid CAS Name: 3-[(3-bromo-4-methoxyphenyl)methyl-(2-furanylmethyl)amino]propanoic acid IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methyl-(furan-2-ylmethyl)amino]propanoic acid Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)-(2-furfuryl)amino]propionic acid Formula: C16H18BrNO4 MolecularWeight: 368.22242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCC(=O)O)CC2=CC=CO2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCC(=O)O)CC2=CC=CO2)Br

InChI

InChI=1S/C16H18BrNO4/c1-21-15-5-4-12(9-14(15)17)10-18(7-6-16(19)20)11-13-3-2-8-22-13/h2-5,8-9H,6-7,10-11H2,1H3,(H,19,20)