2-[5-(2,4-dichlorophenyl)-3-(4-methylpentan-2-yl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-(2,4-dichlorophenyl)-3-(4-methylpentan-2-yl)indol-1-yl]ethanoic acid Openeye Name: 2-[5-(2,4-dichlorophenyl)-3-(1,3-dimethylbutyl)indol-1-yl]acetic acid CAS Name: 2-[5-(2,4-dichlorophenyl)-3-(4-methylpentan-2-yl)-1-indolyl]acetic acid IUPAC Name: 2-[5-(2,4-dichlorophenyl)-3-(4-methylpentan-2-yl)indol-1-yl]acetic acid Traditional Name: 2-[5-(2,4-dichlorophenyl)-3-(1,3-dimethylbutyl)indol-1-yl]acetic acid Formula: C22H23Cl2NO2 MolecularWeight: 404.32952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)C1=CN(C2=C1C=C(C=C2)C3=C(C=C(C=C3)Cl)Cl)CC(=O)O

Isomeric SMILES

CC(C)CC(C)C1=CN(C2=C1C=C(C=C2)C3=C(C=C(C=C3)Cl)Cl)CC(=O)O

InChI

InChI=1S/C22H23Cl2NO2/c1-13(2)8-14(3)19-11-25(12-22(26)27)21-7-4-15(9-18(19)21)17-6-5-16(23)10-20(17)24/h4-7,9-11,13-14H,8,12H2,1-3H3,(H,26,27)