2-[4,6-bis(chloranyl)-2-(3-ethoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[4,6-bis(chloranyl)-2-(3-ethoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-benzyloxy-3-ethoxy-phenyl)-4,6-dichloro-1H-indol-3-yl]acetic acid CAS Name: 2-[4,6-dichloro-2-(3-ethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[4,6-dichloro-2-(3-ethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-benzoxy-3-ethoxy-phenyl)-4,6-dichloro-1H-indol-3-yl]acetic acid Formula: C25H21Cl2NO4 MolecularWeight: 470.34454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=C(C3=C(C=C(C=C3N2)Cl)Cl)CC(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=C(C3=C(C=C(C=C3N2)Cl)Cl)CC(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21Cl2NO4/c1-2-31-22-10-16(8-9-21(22)32-14-15-6-4-3-5-7-15)25-18(13-23(29)30)24-19(27)11-17(26)12-20(24)28-25/h3-12,28H,2,13-14H2,1H3,(H,29,30)