3-(3-bromanyl-5-methoxy-4-phenethyloxy-phenyl)propanoic acid

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-phenethyloxy-phenyl)propanoic acid Openeye Name: 3-(3-bromo-5-methoxy-4-phenethyloxy-phenyl)propanoic acid CAS Name: 3-(3-bromo-5-methoxy-4-phenethyloxyphenyl)propanoic acid IUPAC Name: 3-(3-bromo-5-methoxy-4-phenethyloxyphenyl)propanoic acid Traditional Name: 3-(3-bromo-5-methoxy-4-phenethyloxy-phenyl)propionic acid Formula: C18H19BrO4 MolecularWeight: 379.24506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CCC(=O)O)Br)OCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)CCC(=O)O)Br)OCCC2=CC=CC=C2

InChI

InChI=1S/C18H19BrO4/c1-22-16-12-14(7-8-17(20)21)11-15(19)18(16)23-10-9-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,20,21)