2-[5-bromanyl-2-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-bromanyl-2-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-benzyloxy-3,5-dimethoxy-phenyl)-5-bromo-1H-indol-3-yl]acetic acid CAS Name: 2-[5-bromo-2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-bromo-2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-benzoxy-3,5-dimethoxy-phenyl)-5-bromo-1H-indol-3-yl]acetic acid Formula: C25H22BrNO5 MolecularWeight: 496.34988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C3=C(C4=C(N3)C=CC(=C4)Br)CC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C3=C(C4=C(N3)C=CC(=C4)Br)CC(=O)O

InChI

InChI=1S/C25H22BrNO5/c1-30-21-10-16(11-22(31-2)25(21)32-14-15-6-4-3-5-7-15)24-19(13-23(28)29)18-12-17(26)8-9-20(18)27-24/h3-12,27H,13-14H2,1-2H3,(H,28,29)