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

Systemtic Name: 4-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-3-methyl-indol-2-yl]-3-methyl-butanoic acid Openeye Name: 4-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methyl-indol-2-yl]-3-methyl-butanoic acid CAS Name: 4-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methyl-2-indolyl]-3-methylbutanoic acid IUPAC Name: 4-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylindol-2-yl]-3-methylbutanoic acid Traditional Name: 4-[1-(4-chlorobenzyl)-5-fluoro-3-methyl-indol-2-yl]-3-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)CC(C)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFNO2/c1-13(10-21(25)26)9-20-14(2)18-11-17(23)7-8-19(18)24(20)12-15-3-5-16(22)6-4-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,25,26)