3-[3-bromanyl-4-(2-diethylaminoethyloxy)phenyl]propanoic acid

Systemtic Name: 3-[3-bromanyl-4-(2-diethylaminoethyloxy)phenyl]propanoic acid Openeye Name: 3-[3-bromo-4-(2-diethylaminoethyloxy)phenyl]propanoic acid CAS Name: 3-[3-bromo-4-(2-diethylaminoethyloxy)phenyl]propanoic acid IUPAC Name: 3-[3-bromo-4-(2-diethylaminoethyloxy)phenyl]propanoic acid Traditional Name: 3-[3-bromo-4-(2-diethylaminoethyloxy)phenyl]propionic acid Formula: C15H22BrNO3 MolecularWeight: 344.24408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=C(C=C1)CCC(=O)O)Br

Isomeric SMILES

CCN(CC)CCOC1=C(C=C(C=C1)CCC(=O)O)Br

InChI

InChI=1S/C15H22BrNO3/c1-3-17(4-2)9-10-20-14-7-5-12(11-13(14)16)6-8-15(18)19/h5,7,11H,3-4,6,8-10H2,1-2H3,(H,18,19)