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

Systemtic Name: 3-[3-bromanyl-4-(2-dimethylaminoethyloxy)phenyl]propanoic acid Openeye Name: 3-[3-bromo-4-(2-dimethylaminoethyloxy)phenyl]propanoic acid CAS Name: 3-[3-bromo-4-(2-dimethylaminoethyloxy)phenyl]propanoic acid IUPAC Name: 3-[3-bromo-4-(2-dimethylaminoethyloxy)phenyl]propanoic acid Traditional Name: 3-[3-bromo-4-(2-dimethylaminoethyloxy)phenyl]propionic acid Formula: C13H18BrNO3 MolecularWeight: 316.19092

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=C(C=C(C=C1)CCC(=O)O)Br

Isomeric SMILES

CN(C)CCOC1=C(C=C(C=C1)CCC(=O)O)Br

InChI

InChI=1S/C13H18BrNO3/c1-15(2)7-8-18-12-5-3-10(9-11(12)14)4-6-13(16)17/h3,5,9H,4,6-8H2,1-2H3,(H,16,17)