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

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-3-methyl-indol-2-yl]-2-methyl-butanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methyl-indol-2-yl]-2-methyl-butanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methyl-2-indolyl]-2-methylbutanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylindol-2-yl]-2-methylbutanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-5-fluoro-3-methyl-indol-2-yl]-2-methyl-butyric acid Formula: C21H21ClFNO2 MolecularWeight: 373.848343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)F)CC3=CC=C(C=C3)Cl)C(C)C(C)C(=O)O

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)F)CC3=CC=C(C=C3)Cl)C(C)C(C)C(=O)O

InChI

InChI=1S/C21H21ClFNO2/c1-12(13(2)21(25)26)20-14(3)18-10-17(23)8-9-19(18)24(20)11-15-4-6-16(22)7-5-15/h4-10,12-13H,11H2,1-3H3,(H,25,26)