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

Systemtic Name: 2-[5-iodanyl-2-(3-methoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-benzyloxy-3-methoxy-phenyl)-5-iodo-1H-indol-3-yl]acetic acid CAS Name: 2-[5-iodo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-iodo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-benzoxy-3-methoxy-phenyl)-5-iodo-1H-indol-3-yl]acetic acid Formula: C24H20INO4 MolecularWeight: 513.32437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)I)CC(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)I)CC(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H20INO4/c1-29-22-11-16(7-10-21(22)30-14-15-5-3-2-4-6-15)24-19(13-23(27)28)18-12-17(25)8-9-20(18)26-24/h2-12,26H,13-14H2,1H3,(H,27,28)