4-[1-[(4-bromophenyl)methyl]-5-chloranyl-2-methyl-indol-3-yl]-2,3-dimethyl-butanoic acid

Systemtic Name: 4-[1-[(4-bromophenyl)methyl]-5-chloranyl-2-methyl-indol-3-yl]-2,3-dimethyl-butanoic acid Openeye Name: 4-[1-[(4-bromophenyl)methyl]-5-chloro-2-methyl-indol-3-yl]-2,3-dimethyl-butanoic acid CAS Name: 4-[1-[(4-bromophenyl)methyl]-5-chloro-2-methyl-3-indolyl]-2,3-dimethylbutanoic acid IUPAC Name: 4-[1-[(4-bromophenyl)methyl]-5-chloro-2-methylindol-3-yl]-2,3-dimethylbutanoic acid Traditional Name: 4-[1-(4-bromobenzyl)-5-chloro-2-methyl-indol-3-yl]-2,3-dimethyl-butyric acid Formula: C22H23BrClNO2 MolecularWeight: 448.78052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrClNO2/c1-13(14(2)22(26)27)10-19-15(3)25(12-16-4-6-17(23)7-5-16)21-9-8-18(24)11-20(19)21/h4-9,11,13-14H,10,12H2,1-3H3,(H,26,27)