2-[5-bromanyl-2-(4-ethoxy-3-methoxy-phenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-bromanyl-2-(4-ethoxy-3-methoxy-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-bromo-2-(4-ethoxy-3-methoxy-phenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-bromo-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-bromo-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-bromo-2-(4-ethoxy-3-methoxy-phenyl)-1H-indol-3-yl]acetic acid Formula: C19H18BrNO4 MolecularWeight: 404.25452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)Br)CC(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)Br)CC(=O)O)OC

InChI

InChI=1S/C19H18BrNO4/c1-3-25-16-7-4-11(8-17(16)24-2)19-14(10-18(22)23)13-9-12(20)5-6-15(13)21-19/h4-9,21H,3,10H2,1-2H3,(H,22,23)