2-[5-tert-butyl-2-(5-chloranyl-2-ethoxy-phenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-tert-butyl-2-(5-chloranyl-2-ethoxy-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-tert-butyl-2-(5-chloro-2-ethoxy-phenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-tert-butyl-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-tert-butyl-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-tert-butyl-2-(5-chloro-2-ethoxy-phenyl)-1H-indol-3-yl]acetic acid Formula: C22H24ClNO3 MolecularWeight: 385.88386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C)CC(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C)CC(=O)O

InChI

InChI=1S/C22H24ClNO3/c1-5-27-19-9-7-14(23)11-17(19)21-16(12-20(25)26)15-10-13(22(2,3)4)6-8-18(15)24-21/h6-11,24H,5,12H2,1-4H3,(H,25,26)