4-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-chloranyl-2-methyl-indol-3-yl]-2-methyl-butanoic acid

Systemtic Name: 4-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-chloranyl-2-methyl-indol-3-yl]-2-methyl-butanoic acid Openeye Name: 4-[1-[(4-bromo-2-fluoro-phenyl)methyl]-5-chloro-2-methyl-indol-3-yl]-2-methyl-butanoic acid CAS Name: 4-[1-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-methyl-3-indolyl]-2-methylbutanoic acid IUPAC Name: 4-[1-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-methylindol-3-yl]-2-methylbutanoic acid Traditional Name: 4-[1-(4-bromo-2-fluoro-benzyl)-5-chloro-2-methyl-indol-3-yl]-2-methyl-butyric acid Formula: C21H20BrClFNO2 MolecularWeight: 452.744403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=C(C=C(C=C3)Br)F)C=CC(=C2)Cl)CCC(C)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=C(C=C(C=C3)Br)F)C=CC(=C2)Cl)CCC(C)C(=O)O

InChI

InChI=1S/C21H20BrClFNO2/c1-12(21(26)27)3-7-17-13(2)25(20-8-6-16(23)10-18(17)20)11-14-4-5-15(22)9-19(14)24/h4-6,8-10,12H,3,7,11H2,1-2H3,(H,26,27)