3-[3-bromanyl-5-methoxy-4-(3-phenylpropoxy)phenyl]propanoic acid

Systemtic Name: 3-[3-bromanyl-5-methoxy-4-(3-phenylpropoxy)phenyl]propanoic acid Openeye Name: 3-[3-bromo-5-methoxy-4-(3-phenylpropoxy)phenyl]propanoic acid CAS Name: 3-[3-bromo-5-methoxy-4-(3-phenylpropoxy)phenyl]propanoic acid IUPAC Name: 3-[3-bromo-5-methoxy-4-(3-phenylpropoxy)phenyl]propanoic acid Traditional Name: 3-[3-bromo-5-methoxy-4-(3-phenylpropoxy)phenyl]propionic acid Formula: C19H21BrO4 MolecularWeight: 393.27164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CCC(=O)O)Br)OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)CCC(=O)O)Br)OCCCC2=CC=CC=C2

InChI

InChI=1S/C19H21BrO4/c1-23-17-13-15(9-10-18(21)22)12-16(20)19(17)24-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,21,22)