2-[3-(6-chloranyl-5-cyano-1-methylsulfonyl-indol-2-yl)-4-(2-methoxyethoxymethoxy)-5-phenyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-(6-chloranyl-5-cyano-1-methylsulfonyl-indol-2-yl)-4-(2-methoxyethoxymethoxy)-5-phenyl-phenyl]ethanoic acid Openeye Name: 2-[3-(6-chloro-5-cyano-1-methylsulfonyl-indol-2-yl)-4-(2-methoxyethoxymethoxy)-5-phenyl-phenyl]acetic acid CAS Name: 2-[3-(6-chloro-5-cyano-1-methylsulfonyl-2-indolyl)-4-(2-methoxyethoxymethoxy)-5-phenylphenyl]acetic acid IUPAC Name: 2-[3-(6-chloro-5-cyano-1-methylsulfonylindol-2-yl)-4-(2-methoxyethoxymethoxy)-5-phenylphenyl]acetic acid Traditional Name: 2-[3-(6-chloro-5-cyano-1-mesyl-indol-2-yl)-4-(2-methoxyethoxymethoxy)-5-phenyl-phenyl]acetic acid Formula: C28H25ClN2O7S MolecularWeight: 569.0253

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1=C(C=C(C=C1C2=CC=CC=C2)CC(=O)O)C3=CC4=C(N3S(=O)(=O)C)C=C(C(=C4)C#N)Cl

Isomeric SMILES

COCCOCOC1=C(C=C(C=C1C2=CC=CC=C2)CC(=O)O)C3=CC4=C(N3S(=O)(=O)C)C=C(C(=C4)C#N)Cl

InChI

InChI=1S/C28H25ClN2O7S/c1-36-8-9-37-17-38-28-22(19-6-4-3-5-7-19)10-18(12-27(32)33)11-23(28)26-14-20-13-21(16-30)24(29)15-25(20)31(26)39(2,34)35/h3-7,10-11,13-15H,8-9,12,17H2,1-2H3,(H,32,33)